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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-[1-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-[1-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-[1-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-[1-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-15(16-7-9-18(27-2)10-8-16)25(13-11-17(12-14-25)21(23)26)22-24-19-5-3-4-6-20(19)28-22/h3-10,15,17H,11-14H2,1-2H3,(H-,23,26)/p+1