2-(azocan-1-ium-1-yl)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-acetamide Formula: C19H29BrN3O2+ MolecularWeight: 411.35646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C19H28BrN3O2/c1-15-12-16(20)8-9-17(15)21-18(24)13-22(2)19(25)14-23-10-6-4-3-5-7-11-23/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,21,24)/p+1