1-(1,3-benzothiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-homoveratryl-piperidin-1-ium-3-carboxamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2(CCCC(C2)C(=O)N)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2(CCCC(C2)C(=O)N)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H27N3O3S/c1-28-19-10-9-16(14-20(19)29-2)11-13-26(12-5-6-17(15-26)22(24)27)23-25-18-7-3-4-8-21(18)30-23/h3-4,7-10,14,17H,5-6,11-13,15H2,1-2H3,(H-,24,27)/p+1