4-(2-chlorophenyl)carbonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-chlorophenyl)carbonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(2-chlorobenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)-oxomethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-chlorobenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzoyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C19H28ClN4O2S+ MolecularWeight: 411.96922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H27ClN4O2S/c20-17-5-2-1-4-16(17)18(25)23-8-10-24(11-9-23)19(27)21-6-3-7-22-12-14-26-15-13-22/h1-2,4-5H,3,6-15H2,(H,21,27)/p+1