N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Formula: C20H30N5O2S+ MolecularWeight: 404.5495

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C20H29N5O2S/c26-19-22-17-4-1-2-5-18(17)25(19)16-6-10-24(11-7-16)20(28)21-8-3-9-23-12-14-27-15-13-23/h1-2,4-5,16H,3,6-15H2,(H,21,28)(H,22,26)/p+1