methyl-[3-[(6-nitro-4-oxidanylidene-1H-quinazolin-7-yl)amino]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[(6-nitro-4-oxidanylidene-1H-quinazolin-7-yl)amino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[(6-nitro-4-oxo-1H-quinazolin-7-yl)amino]propyl]ammonium CAS Name: methyl-[3-[(6-nitro-4-oxo-1H-quinazolin-7-yl)amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[(6-nitro-4-oxo-1H-quinazolin-7-yl)amino]propyl]azanium Traditional Name: benzyl-[3-[(4-keto-6-nitro-1H-quinazolin-7-yl)amino]propyl]-methyl-ammonium Formula: C19H22N5O3+ MolecularWeight: 368.40968

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC1=C(C=C2C(=C1)NC=NC2=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC1=C(C=C2C(=C1)NC=NC2=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O3/c1-23(12-14-6-3-2-4-7-14)9-5-8-20-17-11-16-15(10-18(17)24(26)27)19(25)22-13-21-16/h2-4,6-7,10-11,13,20H,5,8-9,12H2,1H3,(H,21,22,25)/p+1