(2R)-2-(azepan-1-ium-1-yl)-2-(3-ethoxy-4-methoxy-phenyl)ethanenitrile

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3-ethoxy-4-methoxy-phenyl)ethanenitrile Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3-ethoxy-4-methoxy-phenyl)acetonitrile CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-(3-ethoxy-4-methoxyphenyl)acetonitrile IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3-ethoxy-4-methoxyphenyl)acetonitrile Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3-ethoxy-4-methoxy-phenyl)acetonitrile Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C#N)[NH+]2CCCCCC2)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C#N)[NH+]2CCCCCC2)OC

InChI

InChI=1S/C17H24N2O2/c1-3-21-17-12-14(8-9-16(17)20-2)15(13-18)19-10-6-4-5-7-11-19/h8-9,12,15H,3-7,10-11H2,1-2H3/p+1/t15-/m0/s1