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

Systemtic Name: 4-(2-chlorophenyl)carbonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(2-chlorobenzoyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)-oxomethyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-chlorobenzoyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzoyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Formula: C18H26ClN4O2S+ MolecularWeight: 397.94264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O2S/c19-16-4-2-1-3-15(16)17(24)22-7-9-23(10-8-22)18(26)20-5-6-21-11-13-25-14-12-21/h1-4H,5-14H2,(H,20,26)/p+1