Molecule ID: 25164094

IUPAC Name: 4-(3,6-diaminoacridin-10-ium-10-yl)butanoic acid;perchlorate

Description: The molecule is a member of aminoacridines and an organic perchlorate salt. It has a role as a fluorochrome. It contains an ATTO 465-2(1+).

SMILES: [NH-]c1ccc2cc3ccc(=[NH2+])cc-3n(CCCC(=O)O)c2c1.[O-][Cl+3]([O-])([O-])O

SELFIES: [NH1-1][C][=C][C][=C][C][=C][C][=C][C][=Branch1][C][=NH2+1][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][Ring1][P][=C][Ring2][Ring1][Branch1].[O-1][Cl+3][Branch1][C][O-1][Branch1][C][O-1][O]

InChI: InChI=1S/C17H17N3O2.ClHO4/c18-13-5-3-11-8-12-4-6-14(19)10-16(12)20(15(11)9-13)7-1-2-17(21)22;2-1(3,4)5/h3-6,8-10H,1-2,7H2,(H4,18,19,21,22);(H,2,3,4,5)

Molecular Properties:
- Polar Surface Area: 168.0 Ų
- LogP: nan