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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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