6-[(4-chlorophenyl)carbonyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]amino]hexylazanium

Systemtic Name: 6-[(4-chlorophenyl)carbonyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Openeye Name: 6-[(4-chlorobenzoyl)-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium CAS Name: 6-[[(4-chlorophenyl)-oxomethyl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium IUPAC Name: 6-[(4-chlorobenzoyl)-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Traditional Name: 6-[(4-chlorobenzoyl)-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]amino]hexylammonium Formula: C23H28ClN4O2+ MolecularWeight: 427.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCC[NH3+])C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCC[NH3+])C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN4O2/c1-16(21-26-20-9-5-4-8-19(20)22(29)27-21)28(15-7-3-2-6-14-25)23(30)17-10-12-18(24)13-11-17/h4-5,8-13,16H,2-3,6-7,14-15,25H2,1H3,(H,26,27,29)/p+1/t16-/m1/s1