[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(phenylmethyl)azanium

Systemtic Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-(2-furylmethyl)ammonium CAS Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-(2-furanylmethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)azanium Traditional Name: benzyl-[2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-(2-furfuryl)ammonium Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)C

InChI

InChI=1S/C23H26N2O4/c1-4-28-23(27)21-16(2)22(24-17(21)3)20(26)15-25(14-19-11-8-12-29-19)13-18-9-6-5-7-10-18/h5-12,24H,4,13-15H2,1-3H3/p+1