4-bromanyl-N-[1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-bromanyl-N-[1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C22H27BrN3O2+ MolecularWeight: 445.37268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O2/c1-15-11-16(2)13-20(12-15)24-21(27)14-26-9-7-19(8-10-26)25-22(28)17-3-5-18(23)6-4-17/h3-6,11-13,19H,7-10,14H2,1-2H3,(H,24,27)(H,25,28)/p+1