4-[2-[[3-(2-cyanoethyl)-1-(phenylmethyl)pyrrolidin-1-ium-1-yl]amino]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[[3-(2-cyanoethyl)-1-(phenylmethyl)pyrrolidin-1-ium-1-yl]amino]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[1-benzyl-3-(2-cyanoethyl)pyrrolidin-1-ium-1-yl]amino]ethoxy]benzonitrile CAS Name: 4-[2-[[3-(2-cyanoethyl)-1-(phenylmethyl)-1-pyrrolidin-1-iumyl]amino]ethoxy]benzonitrile IUPAC Name: 4-[2-[[1-benzyl-3-(2-cyanoethyl)pyrrolidin-1-ium-1-yl]amino]ethoxy]benzonitrile Traditional Name: 4-[2-[[1-benzyl-3-(2-cyanoethyl)pyrrolidin-1-ium-1-yl]amino]ethoxy]benzonitrile Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC1CCC#N)(CC2=CC=CC=C2)NCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[N+](CC1CCC#N)(CC2=CC=CC=C2)NCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N4O/c24-13-4-7-22-12-15-27(19-22,18-21-5-2-1-3-6-21)26-14-16-28-23-10-8-20(17-25)9-11-23/h1-3,5-6,8-11,22,26H,4,7,12,14-16,18-19H2/q+1