N-(3-methoxyphenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-keto-2-pyrrolidino-ethyl)-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C18H26N4O2S/c1-24-16-6-4-5-15(13-16)19-18(25)22-11-9-20(10-12-22)14-17(23)21-7-2-3-8-21/h4-6,13H,2-3,7-12,14H2,1H3,(H,19,25)/p+1