1-(1,3-benzothiazol-2-yl)-1-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-phenethyl-piperidin-1-ium-4-carboxamide Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1C(=O)N)(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[N+](CCC1C(=O)N)(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

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