(2-chloranyl-5-nitro-phenyl)methyl-methyl-[(4-methyl-1-oxidanylidene-phthalazin-2-yl)methyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[(4-methyl-1-oxidanylidene-phthalazin-2-yl)methyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-[(4-methyl-1-oxo-phthalazin-2-yl)methyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(4-methyl-1-oxo-2-phthalazinyl)methyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(4-methyl-1-oxophthalazin-2-yl)methyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-[(1-keto-4-methyl-phthalazin-2-yl)methyl]-methyl-ammonium Formula: C18H18ClN4O3+ MolecularWeight: 373.81352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+](C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+](C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O3/c1-12-15-5-3-4-6-16(15)18(24)22(20-12)11-21(2)10-13-9-14(23(25)26)7-8-17(13)19/h3-9H,10-11H2,1-2H3/p+1