4-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]carbonylpiperazin-2-one Openeye Name: 4-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carbonyl]piperazin-2-one CAS Name: 4-[oxo-[1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinyl]methyl]-2-piperazinone IUPAC Name: 4-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carbonyl]piperazin-2-one Traditional Name: 4-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotoyl]piperazin-2-one Formula: C24H37N4O2+ MolecularWeight: 413.57618

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC(CC2)C(=O)N3CCNC(=O)C3)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CCC(CC2)C(=O)N3CCNC(=O)C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H36N4O2/c29-23-19-28(18-12-25-23)24(30)21-8-16-27(17-9-21)22-10-14-26(15-11-22)13-4-7-20-5-2-1-3-6-20/h1-3,5-6,21-22H,4,7-19H2,(H,25,29)/p+1