3-(4-methoxyphenyl)-2-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-(4-methoxyphenyl)-2-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-1-yl]propanenitrile Openeye Name: 3-(4-methoxyphenyl)-2-[1-(1-naphthylmethyl)piperidin-1-ium-1-yl]propanenitrile CAS Name: 3-(4-methoxyphenyl)-2-[1-(1-naphthalenylmethyl)-1-piperidin-1-iumyl]propanenitrile IUPAC Name: 3-(4-methoxyphenyl)-2-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-1-yl]propanenitrile Traditional Name: 3-(4-methoxyphenyl)-2-[1-(1-naphthylmethyl)piperidin-1-ium-1-yl]propionitrile Formula: C26H29N2O+ MolecularWeight: 385.52126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C#N)[N+]2(CCCCC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)CC(C#N)[N+]2(CCCCC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N2O/c1-29-25-14-12-21(13-15-25)18-24(19-27)28(16-5-2-6-17-28)20-23-10-7-9-22-8-3-4-11-26(22)23/h3-4,7-15,24H,2,5-6,16-18,20H2,1H3/q+1