1-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCC(CC4)C(=O)NC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCC(CC4)C(=O)NC)C

InChI

InChI=1S/C25H30N4O2S/c1-17-9-10-21-23(18(17)2)27-25(32-21)29(15-19-7-5-4-6-8-19)22(30)16-28-13-11-20(12-14-28)24(31)26-3/h4-10,20H,11-16H2,1-3H3,(H,26,31)/p+1