[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(4-bromanyl-3-methyl-phenyl)azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(4-bromanyl-3-methyl-phenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(4-bromo-3-methyl-phenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(4-bromo-3-methylphenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(4-bromo-3-methylphenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(4-bromo-3-methyl-phenyl)ammonium Formula: C15H22BrN2O+ MolecularWeight: 326.25198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[NH2+]CC(=O)N2CCCCCC2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)[NH2+]CC(=O)N2CCCCCC2)Br

InChI

InChI=1S/C15H21BrN2O/c1-12-10-13(6-7-14(12)16)17-11-15(19)18-8-4-2-3-5-9-18/h6-7,10,17H,2-5,8-9,11H2,1H3/p+1