3-cyano-1-(2,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide

Systemtic Name: 3-cyano-1-(2,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Openeye Name: 3-cyano-1-(2,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide CAS Name: 3-cyano-1-(2,4-dimethylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrrolecarboxamide IUPAC Name: 3-cyano-1-(2,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Traditional Name: 3-cyano-1-(2,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC(=C2C(=O)NCC[NH+]3CCOCC3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC(=C2C(=O)NCC[NH+]3CCOCC3)C#N)C

InChI

InChI=1S/C20H24N4O2/c1-15-3-4-18(16(2)13-15)24-7-5-17(14-21)19(24)20(25)22-6-8-23-9-11-26-12-10-23/h3-5,7,13H,6,8-12H2,1-2H3,(H,22,25)/p+1