1-(1,3-benzothiazol-2-yl)-1-phenethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-phenethyl-piperidin-1-ium-3-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-phenethyl-piperidin-1-ium-3-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-phenethyl-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-phenethylpiperidin-1-ium-3-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-phenethyl-piperidin-1-ium-3-carboxamide Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](C1)(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C(=O)N

Isomeric SMILES

C1CC(C[N+](C1)(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C(=O)N

InChI

InChI=1S/C21H23N3OS/c22-20(25)17-9-6-13-24(15-17,14-12-16-7-2-1-3-8-16)21-23-18-10-4-5-11-19(18)26-21/h1-5,7-8,10-11,17H,6,9,12-15H2,(H-,22,25)/p+1