[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-oxidanylidene-2-piperidin-1-yl-ethyl)azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-oxidanylidene-2-piperidin-1-yl-ethyl)azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[2-oxo-2-(1-piperidyl)ethyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(1-piperidinyl)ethyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-(2-oxo-2-piperidin-1-ylethyl)azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-(2-keto-2-piperidino-ethyl)-methyl-ammonium Formula: C17H25BrN3O2+ MolecularWeight: 383.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)N2CCCCC2

InChI

InChI=1S/C17H24BrN3O2/c1-13-10-14(18)6-7-15(13)19-16(22)11-20(2)12-17(23)21-8-4-3-5-9-21/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,19,22)/p+1