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

Systemtic Name: ethyl 4-[2-[[(2R)-2-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[(2R)-2-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-[[(2R)-2-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-8-methyl-4-quinazolin-3-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(2R)-2-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methylquinazolin-3-ium-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[[(2R)-2-carbethoxypiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C25H37N5O4+2 MolecularWeight: 471.59238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=NC3=C(C=CC=C3C)C(=[NH+]2)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=NC3=C(C=CC=C3C)C(=[NH+]2)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C25H35N5O4/c1-4-33-24(31)20-11-6-7-12-30(20)17-21-26-22-18(3)9-8-10-19(22)23(27-21)28-13-15-29(16-14-28)25(32)34-5-2/h8-10,20H,4-7,11-17H2,1-3H3/p+2/t20-/m1/s1