Molecule ID: 25164095

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

Description: The molecule is the cationic form of 3,6-diamino-10-(3-carboxypropyl)acridine. It has a role as a fluorochrome. It is a member of aminoacridines, a monocarboxylic acid and an acridinium ion.

SMILES: [NH-]c1ccc2c(c1)[NH+](CCCC(=O)O)C1=CC(=[NH2+])C=CC1=C2

SELFIES: [NH1-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1+1][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=NH2+1][C][=C][C][Ring1][#Branch1][=C][Ring2][Ring1][C]

InChI: InChI=1S/C17H17N3O2/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/h3-6,8-10H,1-2,7H2,(H4,18,19,21,22)/p+1

Molecular Properties:
- Polar Surface Area: 93.2 Ų
- LogP: 2.1