(2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-2-phenyl-acetamide Formula: C25H32ClN4O3+ MolecularWeight: 471.99958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4)Cl

InChI

InChI=1S/C25H31ClN4O3/c1-33-22-10-9-20(17-21(22)26)27-25(32)24(19-7-3-2-4-8-19)30-15-13-28(14-16-30)18-23(31)29-11-5-6-12-29/h2-4,7-10,17,24H,5-6,11-16,18H2,1H3,(H,27,32)/p+1/t24-/m0/s1