ethyl 4-[2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-[[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-8-methyl-4-quinazolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methylquinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[[(3S)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C25H36N5O4+ MolecularWeight: 470.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC3=C(C=CC=C3C)C(=N2)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC3=C(C=CC=C3C)C(=N2)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C25H35N5O4/c1-4-33-24(31)19-9-7-11-28(16-19)17-21-26-22-18(3)8-6-10-20(22)23(27-21)29-12-14-30(15-13-29)25(32)34-5-2/h6,8,10,19H,4-5,7,9,11-17H2,1-3H3/p+1/t19-/m0/s1