Molecule ID: 44123436

IUPAC Name: 3-acetamidopropyl-[4-(3-acetamidopropylazaniumyl)butyl]azanium

Description: The molecule is dication of N(1),N(12)-diacetylspermine. It has a role as a human metabolite. It is a conjugate acid of a N(1),N(12)-diacetylspermine.

SMILES: CC(O)=NCCC[NH2+]CCCC[NH2+]CCCN=C(C)O

SELFIES: [C][C][Branch1][C][O][=N][C][C][C][NH2+1][C][C][C][C][NH2+1][C][C][C][N][=C][Branch1][C][C][O]

InChI: InChI=1S/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)/p+2

Molecular Properties:
- Polar Surface Area: 91.4 Ų
- LogP: -0.6