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

Systemtic Name: 1-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-bromo-2-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=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

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

InChI

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