(3-piperazin-4-ium-1-ylcarbonylphenyl)methyl-dipropyl-azanium

Systemtic Name: (3-piperazin-4-ium-1-ylcarbonylphenyl)methyl-dipropyl-azanium Openeye Name: [3-(piperazin-4-ium-1-carbonyl)phenyl]methyl-dipropyl-ammonium CAS Name: [3-[oxo(1-piperazin-4-iumyl)methyl]phenyl]methyl-dipropylammonium IUPAC Name: [3-(piperazin-4-ium-1-carbonyl)phenyl]methyl-dipropylazanium Traditional Name: [3-(piperazin-4-ium-1-carbonyl)benzyl]-dipropyl-ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=CC=CC(=C1)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCC[NH+](CCC)CC1=CC=CC(=C1)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C18H29N3O/c1-3-10-20(11-4-2)15-16-6-5-7-17(14-16)18(22)21-12-8-19-9-13-21/h5-7,14,19H,3-4,8-13,15H2,1-2H3/p+2