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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC[NH+]2CCCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC[NH+]2CCCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N3OS/c24-19(16-8-2-1-3-9-16)23(15-14-22-12-6-7-13-22)20-21-17-10-4-5-11-18(17)25-20/h4-5,10-11,16H,1-3,6-9,12-15H2/p+1