N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-(4-methylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-(4-methylpiperidin-1-ium-1-yl)propanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-(4-methylpiperidin-1-ium-1-yl)propanamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-3-(4-methyl-1-piperidin-1-iumyl)propanamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4-methylpiperidin-1-ium-1-yl)propanamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-3-(4-methylpiperidin-1-ium-1-yl)propionamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N

Isomeric SMILES

CC1CC[NH+](CC1)CCC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N

InChI

InChI=1S/C21H28N4O2/c1-15-6-9-24(10-7-15)11-8-20(26)23-21-19(13-22)16(2)17(3)25(21)14-18-5-4-12-27-18/h4-5,12,15H,6-11,14H2,1-3H3,(H,23,26)/p+1