methyl 2-[(4R)-6-bromanyl-2-(2-morpholin-4-ium-4-ylethyl)-4-phenyl-4H-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[(4R)-6-bromanyl-2-(2-morpholin-4-ium-4-ylethyl)-4-phenyl-4H-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[(4R)-6-bromo-2-(2-morpholin-4-ium-4-ylethyl)-4-phenyl-4H-quinazolin-3-yl]acetate CAS Name: 2-[(4R)-6-bromo-2-[2-(4-morpholin-4-iumyl)ethyl]-4-phenyl-4H-quinazolin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(4R)-6-bromo-2-(2-morpholin-4-ium-4-ylethyl)-4-phenyl-4H-quinazolin-3-yl]acetate Traditional Name: 2-[(4R)-6-bromo-2-(2-morpholin-4-ium-4-ylethyl)-4-phenyl-4H-quinazolin-3-yl]acetic acid methyl ester Formula: C23H27BrN3O3+ MolecularWeight: 473.38278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(C2=C(C=CC(=C2)Br)N=C1CC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1[C@@H](C2=C(C=CC(=C2)Br)N=C1CC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26BrN3O3/c1-29-22(28)16-27-21(9-10-26-11-13-30-14-12-26)25-20-8-7-18(24)15-19(20)23(27)17-5-3-2-4-6-17/h2-8,15,23H,9-14,16H2,1H3/p+1/t23-/m1/s1