1-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H25BrN3O2+ MolecularWeight: 431.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)Br

InChI

InChI=1S/C21H24BrN3O2/c1-15-7-8-19(18(22)13-15)24-20(26)14-25-11-9-16(10-12-25)21(27)23-17-5-3-2-4-6-17/h2-8,13,16H,9-12,14H2,1H3,(H,23,27)(H,24,26)/p+1