2-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-keto-2-(4-p-anisylpiperazin-4-ium-1-yl)ethyl]thio]-N-(p-tolyl)acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29N3O3S/c1-18-3-7-20(8-4-18)24-22(27)16-30-17-23(28)26-13-11-25(12-14-26)15-19-5-9-21(29-2)10-6-19/h3-10H,11-17H2,1-2H3,(H,24,27)/p+1