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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCC2)CC3=CC=CO3)C

InChI

InChI=1S/C20H26N4O2/c1-15-16(2)24(13-17-8-7-11-26-17)20(18(15)12-21)22-19(25)14-23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,13-14H2,1-2H3,(H,22,25)/p+1