[2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-[(2,3-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-[(2,3-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-[(2,3-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]amino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-methyl-o-veratryl-ammonium Formula: C26H31N4O3+ MolecularWeight: 447.54934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CC2=C(C(=CC=C2)OC)OC)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CC2=C(C(=CC=C2)OC)OC)CC3=CC=CC=C3)C

InChI

InChI=1S/C26H30N4O3/c1-18-19(2)30(15-20-10-7-6-8-11-20)26(22(18)14-27)28-24(31)17-29(3)16-21-12-9-13-23(32-4)25(21)33-5/h6-13H,15-17H2,1-5H3,(H,28,31)/p+1