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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3-chloranyl-4-methyl-phenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(3-chloro-4-methyl-phenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(3-chloro-4-methylphenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(3-chloro-4-methylphenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(3-chloro-4-methyl-phenyl)ammonium Formula: C15H22ClN2O+ MolecularWeight: 281.80098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O/c1-12-6-7-13(10-14(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