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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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