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

Systemtic Name: (2-piperazin-4-ium-1-ylcarbonylphenyl)methyl-dipropyl-azanium Openeye Name: [2-(piperazin-4-ium-1-carbonyl)phenyl]methyl-dipropyl-ammonium CAS Name: [2-[oxo(1-piperazin-4-iumyl)methyl]phenyl]methyl-dipropylammonium IUPAC Name: [2-(piperazin-4-ium-1-carbonyl)phenyl]methyl-dipropylazanium Traditional Name: [2-(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=C1C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCC[NH+](CCC)CC1=CC=CC=C1C(=O)N2CC[NH2+]CC2

InChI

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