(2R)-N-(3-methoxyphenyl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-(3-methoxyphenyl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-N-(3-methoxyphenyl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-N-(3-methoxyphenyl)-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-(3-methoxyphenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@@H](C2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C26H34N4O3/c1-33-23-12-8-11-22(19-23)27-26(32)25(21-9-4-2-5-10-21)30-17-15-28(16-18-30)20-24(31)29-13-6-3-7-14-29/h2,4-5,8-12,19,25H,3,6-7,13-18,20H2,1H3,(H,27,32)/p+1/t25-/m1/s1