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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl]-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl]-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(1-azocanyl)-2-oxoethyl]-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl]-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(azocan-1-yl)-2-keto-ethyl]-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C19H29BrN3O2+ MolecularWeight: 411.35646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)N2CCCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)N2CCCCCCC2

InChI

InChI=1S/C19H28BrN3O2/c1-15-12-16(20)8-9-17(15)21-18(24)13-22(2)14-19(25)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