1-(4-cyanophenyl)-3-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(4-cyanophenyl)-3-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(4-cyanophenyl)-3-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(4-cyanophenyl)-3-[[3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]urea IUPAC Name: 1-(4-cyanophenyl)-3-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(4-cyanophenyl)-3-[3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]urea Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC(=C2)CNC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC(=C2)CNC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N4O/c21-13-16-6-8-19(9-7-16)23-20(25)22-14-17-4-3-5-18(12-17)15-24-10-1-2-11-24/h3-9,12H,1-2,10-11,14-15H2,(H2,22,23,25)/p+1