2,3-bis(4-butylphenyl)-1-(1-butylpyridin-1-ium-4-yl)cyclopropane-1-carbonitrile

Systemtic Name: 2,3-bis(4-butylphenyl)-1-(1-butylpyridin-1-ium-4-yl)cyclopropane-1-carbonitrile Openeye Name: 2,3-bis(4-butylphenyl)-1-(1-butylpyridin-1-ium-4-yl)cyclopropanecarbonitrile CAS Name: 2,3-bis(4-butylphenyl)-1-(1-butyl-4-pyridin-1-iumyl)-1-cyclopropanecarbonitrile IUPAC Name: 2,3-bis(4-butylphenyl)-1-(1-butylpyridin-1-ium-4-yl)cyclopropane-1-carbonitrile Traditional Name: 2,3-bis(4-butylphenyl)-1-(1-butylpyridin-1-ium-4-yl)cyclopropanecarbonitrile Formula: C33H41N2+ MolecularWeight: 465.69204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2C(C2(C#N)C3=CC=[N+](C=C3)CCCC)C4=CC=C(C=C4)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2C(C2(C#N)C3=CC=[N+](C=C3)CCCC)C4=CC=C(C=C4)CCCC

InChI

InChI=1S/C33H41N2/c1-4-7-10-26-12-16-28(17-13-26)31-32(29-18-14-27(15-19-29)11-8-5-2)33(31,25-34)30-20-23-35(24-21-30)22-9-6-3/h12-21,23-24,31-32H,4-11,22H2,1-3H3/q+1