N-cyclopropyl-2-[4-[2-(2,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-(2,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[2-[(2,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)thio]nicotinoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C

InChI

InChI=1S/C23H28N4O2S/c1-16-5-8-20(17(2)14-16)30-22-19(4-3-9-24-22)23(29)27-12-10-26(11-13-27)15-21(28)25-18-6-7-18/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3,(H,25,28)/p+1