(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(1-isopropylpiperidin-1-ium-4-yl)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-methyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-N-methyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(1-isopropylpiperidin-1-ium-4-yl)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-methyl-acrylamide Formula: C26H35N4O2+ MolecularWeight: 435.5817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)N(C)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)N(C)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C26H34N4O2/c1-18(2)29-13-11-23(12-14-29)28(5)26(31)22(17-27)16-21-15-19(3)30(20(21)4)24-7-9-25(32-6)10-8-24/h7-10,15-16,18,23H,11-14H2,1-6H3/p+1/b22-16+