(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-N-(2,5-dimethylphenyl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-N-(2,5-dimethylphenyl)-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-N-(2,5-dimethylphenyl)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]-2-phenyl-acetamide Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C27H36N4O2/c1-21-11-12-22(2)24(19-21)28-27(33)26(23-9-5-3-6-10-23)31-17-15-29(16-18-31)20-25(32)30-13-7-4-8-14-30/h3,5-6,9-12,19,26H,4,7-8,13-18,20H2,1-2H3,(H,28,33)/p+1/t26-/m1/s1