N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C26H35N4O2S+ MolecularWeight: 467.6467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C26H34N4O2S/c1-20-5-8-24(17-21(20)2)33-23-9-6-22(7-10-23)27-25(31)18-28-13-15-29(16-14-28)19-26(32)30-11-3-4-12-30/h5-10,17H,3-4,11-16,18-19H2,1-2H3,(H,27,31)/p+1