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

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3-methoxy-4-oxidanyl-phenyl)ethanenitrile Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-2-(4-hydroxy-3-methoxy-phenyl)acetonitrile CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-(4-hydroxy-3-methoxy-phenyl)acetonitrile Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2/c1-19-15-10-12(6-7-14(15)18)13(11-16)17-8-4-2-3-5-9-17/h6-7,10,13,18H,2-5,8-9H2,1H3/p+1/t13-/m0/s1