(2R)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-N-(2-methoxy-5-methylphenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@@H](C2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C26H34N4O3/c1-20-10-11-23(33-2)22(18-20)27-26(32)25(21-8-4-3-5-9-21)30-16-14-28(15-17-30)19-24(31)29-12-6-7-13-29/h3-5,8-11,18,25H,6-7,12-17,19H2,1-2H3,(H,27,32)/p+1/t25-/m1/s1