(4-ethoxyphenyl)methyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (4-ethoxyphenyl)methyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4-ethoxyphenyl)methyl-[(1R)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-ethoxyphenyl)methyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4-ethoxyphenyl)methyl-[(2R)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(4-ethoxybenzyl)-methyl-ammonium Formula: C21H29N2O4+ MolecularWeight: 373.46596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C21H28N2O4/c1-7-27-17-10-8-16(9-11-17)12-23(5)15(4)20(24)19-13(2)18(14(3)22-19)21(25)26-6/h8-11,15,22H,7,12H2,1-6H3/p+1/t15-/m1/s1