2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]quinazolin-4-olate

Systemtic Name: 2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]quinazolin-4-olate Openeye Name: 2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]quinazolin-4-olate CAS Name: 2-[[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]-4-quinazolinolate IUPAC Name: 2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]quinazolin-4-olate Traditional Name: 2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]quinazolin-4-olate Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NC3=CC=CC=C3C(=N2)[O-])[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NC3=CC=CC=C3C(=N2)[O-])[NH+]4CCCC4

InChI

InChI=1S/C22H24N4O3/c1-29-16-10-8-15(9-11-16)19(26-12-4-5-13-26)14-23-22(28)20-24-18-7-3-2-6-17(18)21(27)25-20/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,23,28)(H,24,25,27)/t19-/m0/s1