[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (3,5-dicarbethoxy-4-methyl-1H-pyrrol-2-yl)methyl-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C22H27N4O5+ MolecularWeight: 427.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H26N4O5/c1-5-30-21(28)18-13(3)19(22(29)31-6-2)24-16(18)11-26(4)12-17-23-15-10-8-7-9-14(15)20(27)25-17/h7-10,24H,5-6,11-12H2,1-4H3,(H,23,25,27)/p+1