(2S)-2-(3,4-dimethoxyphenyl)azepan-1-ium

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)azepan-1-ium Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)azepan-1-ium CAS Name: (2S)-2-(3,4-dimethoxyphenyl)azepan-1-ium IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)azepan-1-ium Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)azepan-1-ium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCCC[NH2+]2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CCCCC[NH2+]2)OC

InChI

InChI=1S/C14H21NO2/c1-16-13-8-7-11(10-14(13)17-2)12-6-4-3-5-9-15-12/h7-8,10,12,15H,3-6,9H2,1-2H3/p+1/t12-/m0/s1