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

Systemtic Name: 1-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C23H26N4O2S/c1-16-6-5-9-19-21(16)25-23(30-19)27(14-17-7-3-2-4-8-17)20(28)15-26-12-10-18(11-13-26)22(24)29/h2-9,18H,10-15H2,1H3,(H2,24,29)/p+1