3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]benzonitrile Formula: C20H23N2O+ MolecularWeight: 307.40942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CC3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H22N2O/c1-2-23-19-10-8-18(9-11-19)20-7-4-12-22(20)15-17-6-3-5-16(13-17)14-21/h3,5-6,8-11,13,20H,2,4,7,12,15H2,1H3/p+1/t20-/m1/s1