4-cyano-2-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrol-1-yl-furan-3-carboxamide

Systemtic Name: 4-cyano-2-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrol-1-yl-furan-3-carboxamide Openeye Name: 4-cyano-2-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrol-1-yl-furan-3-carboxamide CAS Name: 4-cyano-2-methyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-(1-pyrrolyl)-3-furancarboxamide IUPAC Name: 4-cyano-2-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide Traditional Name: 4-cyano-2-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-5-pyrrol-1-yl-3-furamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C23H24N4O2/c1-17-21(20(14-24)23(29-17)27-12-6-7-13-27)22(28)25-15-18-8-2-3-9-19(18)16-26-10-4-5-11-26/h2-3,6-9,12-13H,4-5,10-11,15-16H2,1H3,(H,25,28)/p+1