ethyl 2-[(3S)-4-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]morpholin-4-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-4-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]morpholin-4-ium-3-yl]ethanoate Openeye Name: ethyl 2-[(3S)-4-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]morpholin-4-ium-3-yl]acetate CAS Name: 2-[(3S)-4-[1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-piperidinyl]-3-morpholin-4-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-4-[1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]morpholin-4-ium-3-yl]acetate Traditional Name: 2-[(3S)-4-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]morpholin-4-ium-3-yl]acetic acid ethyl ester Formula: C24H35N4O4+ MolecularWeight: 443.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH+]4CCOCC4CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH+]4CCOC[C@@H]4CC(=O)OCC

InChI

InChI=1S/C24H34N4O4/c1-4-31-20-6-7-22-21(15-20)17(3)25-24(26-22)27-10-8-18(9-11-27)28-12-13-30-16-19(28)14-23(29)32-5-2/h6-7,15,18-19H,4-5,8-14,16H2,1-3H3/p+1/t19-/m0/s1