[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3,5-dimethoxyphenyl)azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3,5-dimethoxyphenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(3,5-dimethoxyphenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(3,5-dimethoxyphenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(3,5-dimethoxyphenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(3,5-dimethoxyphenyl)ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[NH2+]CC(=O)N2CCCCCC2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)[NH2+]CC(=O)N2CCCCCC2)OC

InChI

InChI=1S/C16H24N2O3/c1-20-14-9-13(10-15(11-14)21-2)17-12-16(19)18-7-5-3-4-6-8-18/h9-11,17H,3-8,12H2,1-2H3/p+1