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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-m-anisyl-piperidin-1-ium-4-carboxamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)C[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S/c1-26-17-6-4-5-15(13-17)14-24(11-9-16(10-12-24)20(22)25)21-23-18-7-2-3-8-19(18)27-21/h2-8,13,16H,9-12,14H2,1H3,(H-,22,25)/p+1