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

Systemtic Name: 6-[[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-pentanoyl-amino]hexylazanium Openeye Name: 6-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-pentanoyl-amino]hexylammonium CAS Name: 6-[1-oxopentyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium IUPAC Name: 6-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-pentanoylamino]hexylazanium Traditional Name: 6-[[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-valeryl-amino]hexylammonium Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2/c1-3-4-13-19(26)25(15-10-6-5-9-14-22)16(2)20-23-18-12-8-7-11-17(18)21(27)24-20/h7-8,11-12,16H,3-6,9-10,13-15,22H2,1-2H3,(H,23,24,27)/p+1/t16-/m1/s1