3-cyano-1-(4-dimethylaminophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrrole-2-carboxamide

Systemtic Name: 3-cyano-1-(4-dimethylaminophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrrole-2-carboxamide Openeye Name: 3-cyano-1-(4-dimethylaminophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrrole-2-carboxamide CAS Name: 3-cyano-1-(4-dimethylaminophenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-pyrrolecarboxamide IUPAC Name: 3-cyano-1-(4-dimethylaminophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrrole-2-carboxamide Traditional Name: 3-cyano-1-(4-dimethylaminophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrrole-2-carboxamide Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N2C=CC(=C2C(=O)NCC[NH+]3CCCC3)C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N2C=CC(=C2C(=O)NCC[NH+]3CCCC3)C#N

InChI

InChI=1S/C20H25N5O/c1-23(2)17-5-7-18(8-6-17)25-13-9-16(15-21)19(25)20(26)22-10-14-24-11-3-4-12-24/h5-9,13H,3-4,10-12,14H2,1-2H3,(H,22,26)/p+1