N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N3O2S/c24-19(16-6-2-1-3-7-16)23(11-10-22-12-14-25-15-13-22)20-21-17-8-4-5-9-18(17)26-20/h4-5,8-9,16H,1-3,6-7,10-15H2/p+1