(3S)-4-(cyclohexylmethyl)-3-[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3S)-4-(cyclohexylmethyl)-3-[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3S)-4-(cyclohexylmethyl)-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3S)-4-(cyclohexylmethyl)-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3S)-4-(cyclohexylmethyl)-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3S)-4-(cyclohexylmethyl)-3-[2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-4-ium-2-one Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCNC(=O)C2CC(=O)N3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCNC(=O)[C@@H]2CC(=O)N3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H33N3O2/c28-23(26-14-11-21(12-15-26)20-9-5-2-6-10-20)17-22-24(29)25-13-16-27(22)18-19-7-3-1-4-8-19/h2,5-6,9-11,19,22H,1,3-4,7-8,12-18H2,(H,25,29)/p+1/t22-/m0/s1