(3R)-3-[2-oxidanylidene-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]-4-phenethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-[4-(4-pyridyl)-1-piperidyl]ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-(4-pyridin-4-yl-1-piperidinyl)ethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(4-pyridyl)piperidino]ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=NC=C2)C(=O)CC3C(=O)NCC[NH+]3CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=CC=NC=C2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c29-23(28-15-9-21(10-16-28)20-6-11-25-12-7-20)18-22-24(30)26-13-17-27(22)14-8-19-4-2-1-3-5-19/h1-7,11-12,21-22H,8-10,13-18H2,(H,26,30)/p+1/t22-/m1/s1