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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C23H29BrN3O2+ MolecularWeight: 459.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H28BrN3O2/c1-17-14-20(24)10-11-21(17)25-22(28)16-26(2)23(29)19-8-6-18(7-9-19)15-27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,25,28)/p+1