1-[(2-piperazin-4-ium-1-ylcarbonylphenyl)methyl]piperidin-1-ium-4-one

Systemtic Name: 1-[(2-piperazin-4-ium-1-ylcarbonylphenyl)methyl]piperidin-1-ium-4-one Openeye Name: 1-[[2-(piperazin-4-ium-1-carbonyl)phenyl]methyl]piperidin-1-ium-4-one CAS Name: 1-[[2-[oxo(1-piperazin-4-iumyl)methyl]phenyl]methyl]-4-piperidin-1-iumone IUPAC Name: 1-[[2-(piperazin-4-ium-1-carbonyl)phenyl]methyl]piperidin-1-ium-4-one Traditional Name: 1-[2-(piperazin-4-ium-1-carbonyl)benzyl]piperidin-1-ium-4-one Formula: C17H25N3O2+2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC2=CC=CC=C2C(=O)N3CC[NH2+]CC3

Isomeric SMILES

C1C[NH+](CCC1=O)CC2=CC=CC=C2C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C17H23N3O2/c21-15-5-9-19(10-6-15)13-14-3-1-2-4-16(14)17(22)20-11-7-18-8-12-20/h1-4,18H,5-13H2/p+2