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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H27BrN3O2+ MolecularWeight: 397.32988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)N2CCCCCC2

InChI

InChI=1S/C18H26BrN3O2/c1-14-11-15(19)7-8-16(14)20-17(23)12-21(2)13-18(24)22-9-5-3-4-6-10-22/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,20,23)/p+1