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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3-chloranyl-2-methyl-phenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(3-chloro-2-methyl-phenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(3-chloro-2-methylphenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(3-chloro-2-methylphenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(3-chloro-2-methyl-phenyl)ammonium Formula: C15H22ClN2O+ MolecularWeight: 281.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)[NH2+]CC(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)[NH2+]CC(=O)N2CCCCCC2

InChI

InChI=1S/C15H21ClN2O/c1-12-13(16)7-6-8-14(12)17-11-15(19)18-9-4-2-3-5-10-18/h6-8,17H,2-5,9-11H2,1H3/p+1