N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C21H26N4O3S/c1-28-17-6-4-5-16(13-17)25-11-9-24(10-12-25)14-21(27)23-18-7-2-3-8-19(18)29-15-20(22)26/h2-8,13H,9-12,14-15H2,1H3,(H2,22,26)(H,23,27)/p+1