(2R)-2-(azepan-1-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanenitrile

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3,4-dimethoxyphenyl)ethanenitrile Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-(3,4-dimethoxyphenyl)acetonitrile IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3,4-dimethoxyphenyl)acetonitrile Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C16H23N2O2+ MolecularWeight: 275.36602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)[NH+]2CCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C#N)[NH+]2CCCCCC2)OC

InChI

InChI=1S/C16H22N2O2/c1-19-15-8-7-13(11-16(15)20-2)14(12-17)18-9-5-3-4-6-10-18/h7-8,11,14H,3-6,9-10H2,1-2H3/p+1/t14-/m0/s1