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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CSCC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CSCC(=O)NC3=CC=C(C=C3)OC

InChI

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