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

Systemtic Name: 1-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2S/c1-16-8-9-20-22(17(16)2)26-24(31-20)28(14-18-6-4-3-5-7-18)21(29)15-27-12-10-19(11-13-27)23(25)30/h3-9,19H,10-15H2,1-2H3,(H2,25,30)/p+1