1-[(4-octadecoxyphenyl)methyl]pyridin-1-ium-4-carbonitrile

Systemtic Name: 1-[(4-octadecoxyphenyl)methyl]pyridin-1-ium-4-carbonitrile Openeye Name: 1-[(4-octadecoxyphenyl)methyl]pyridin-1-ium-4-carbonitrile CAS Name: 1-[(4-octadecoxyphenyl)methyl]-4-pyridin-1-iumcarbonitrile IUPAC Name: 1-[(4-octadecoxyphenyl)methyl]pyridin-1-ium-4-carbonitrile Traditional Name: 1-(4-stearyloxybenzyl)pyridin-1-ium-4-carbonitrile Formula: C31H47N2O+ MolecularWeight: 463.71768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C#N

InChI

InChI=1S/C31H47N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-31-20-18-30(19-21-31)28-33-24-22-29(27-32)23-25-33/h18-25H,2-17,26,28H2,1H3/q+1