4-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide CAS Name: 4-(1,3-benzoxazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C20H28N4O2S/c27-20(21-8-3-9-23-12-14-25-15-13-23)24-10-6-16(7-11-24)19-22-17-4-1-2-5-18(17)26-19/h1-2,4-5,16H,3,6-15H2,(H,21,27)/p+1