hexyl-[(1R)-1-[3-(4-methoxy-4-oxidanylidene-butyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azanium

Systemtic Name: hexyl-[(1R)-1-[3-(4-methoxy-4-oxidanylidene-butyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azanium Openeye Name: hexyl-[(1R)-1-[3-(4-methoxy-4-oxo-butyl)-4-oxo-quinazolin-2-yl]ethyl]ammonium CAS Name: hexyl-[(1R)-1-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-quinazolinyl]ethyl]ammonium IUPAC Name: hexyl-[(1R)-1-[3-(4-methoxy-4-oxobutyl)-4-oxoquinazolin-2-yl]ethyl]azanium Traditional Name: hexyl-[(1R)-1-[4-keto-3-(4-keto-4-methoxy-butyl)quinazolin-2-yl]ethyl]ammonium Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]C(C)C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC

Isomeric SMILES

CCCCCC[NH2+][C@H](C)C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC

InChI

InChI=1S/C21H31N3O3/c1-4-5-6-9-14-22-16(2)20-23-18-12-8-7-11-17(18)21(26)24(20)15-10-13-19(25)27-3/h7-8,11-12,16,22H,4-6,9-10,13-15H2,1-3H3/p+1/t16-/m1/s1