(2-methoxyphenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: (2-methoxyphenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: (2-methoxyphenyl)methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: (2-methoxyphenyl)methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (2-methoxyphenyl)methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-o-anisyl-ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH2+]C2CCCCNC2=O

Isomeric SMILES

COC1=CC=CC=C1C[NH2+][C@H]2CCCCNC2=O

InChI

InChI=1S/C14H20N2O2/c1-18-13-8-3-2-6-11(13)10-16-12-7-4-5-9-15-14(12)17/h2-3,6,8,12,16H,4-5,7,9-10H2,1H3,(H,15,17)/p+1/t12-/m0/s1