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

Systemtic Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-methyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]amino]-2-oxoethyl]-methyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: [2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-methyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-methyl-(2,3,4-trimethoxybenzyl)ammonium Formula: C27H33N4O4+ MolecularWeight: 477.57532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O4/c1-18-19(2)31(15-20-10-8-7-9-11-20)27(22(18)14-28)29-24(32)17-30(3)16-21-12-13-23(33-4)26(35-6)25(21)34-5/h7-13H,15-17H2,1-6H3,(H,29,32)/p+1