1-[[3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O

InChI

InChI=1S/C23H32N4O3/c28-21-8-5-11-27(21)17-19-6-4-7-20(16-19)23(30)26-14-12-24(13-15-26)18-22(29)25-9-2-1-3-10-25/h4,6-7,16H,1-3,5,8-15,17-18H2/p+1