3-(4-methoxyphenyl)-2-[1-(phenylmethyl)azepan-1-ium-1-yl]propanenitrile

Systemtic Name: 3-(4-methoxyphenyl)-2-[1-(phenylmethyl)azepan-1-ium-1-yl]propanenitrile Openeye Name: 2-(1-benzylazepan-1-ium-1-yl)-3-(4-methoxyphenyl)propanenitrile CAS Name: 3-(4-methoxyphenyl)-2-[1-(phenylmethyl)-1-azepan-1-iumyl]propanenitrile IUPAC Name: 2-(1-benzylazepan-1-ium-1-yl)-3-(4-methoxyphenyl)propanenitrile Traditional Name: 2-(1-benzylazepan-1-ium-1-yl)-3-(4-methoxyphenyl)propionitrile Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C#N)[N+]2(CCCCCC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC(C#N)[N+]2(CCCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N2O/c1-26-23-13-11-20(12-14-23)17-22(18-24)25(15-7-2-3-8-16-25)19-21-9-5-4-6-10-21/h4-6,9-14,22H,2-3,7-8,15-17,19H2,1H3/q+1