1-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-(p-tolylmethyl)piperidin-1-ium-3-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-(4-methylbenzyl)piperidin-1-ium-3-carboxamide Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(CCCC(C2)C(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CCCC(C2)C(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS/c1-15-8-10-16(11-9-15)13-24(12-4-5-17(14-24)20(22)25)21-23-18-6-2-3-7-19(18)26-21/h2-3,6-11,17H,4-5,12-14H2,1H3,(H-,22,25)/p+1