Molecule ID: 121596200

IUPAC Name: 2-chloroethyl-[3-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]propyl]azanium

Description: The molecule is an ammonium ion that is acridine half-mustard in which both of the secondary amino groups have been protonated. It is a conjugate acid of an acridine half-mustard.

SMILES: COc1ccc2[nH]c3cc(Cl)ccc3c(=[NH+]CCC[NH2+]CCCl)c2c1

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

InChI: InChI=1S/C19H21Cl2N3O/c1-25-14-4-6-17-16(12-14)19(23-9-2-8-22-10-7-20)15-5-3-13(21)11-18(15)24-17/h3-6,11-12,22H,2,7-10H2,1H3,(H,23,24)/p+2

Molecular Properties:
- Polar Surface Area: 55.3 Ų
- LogP: 5.2