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

Systemtic Name: cyclopropyl-[(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[(1R)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(1R)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+](CC2=CC=C(C=C2)OC)C3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@@H](C)[NH+](CC2=CC=C(C=C2)OC)C3CC3)C

InChI

InChI=1S/C23H30N2O4/c1-6-29-23(27)20-14(2)21(24-15(20)3)22(26)16(4)25(18-9-10-18)13-17-7-11-19(28-5)12-8-17/h7-8,11-12,16,18,24H,6,9-10,13H2,1-5H3/p+1/t16-/m1/s1