(2S)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: (2S)-N-(4-benzyloxyphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: (2S)-N-(4-benzoxyphenyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propionamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C26H34N4O3/c1-21(29-17-15-28(16-18-29)19-25(31)30-13-5-6-14-30)26(32)27-23-9-11-24(12-10-23)33-20-22-7-3-2-4-8-22/h2-4,7-12,21H,5-6,13-20H2,1H3,(H,27,32)/p+1/t21-/m0/s1