(4S)-1,2,4-trimethyl-4-(4-nitrophenyl)-1,2-diazinan-2-ium

Systemtic Name: (4S)-1,2,4-trimethyl-4-(4-nitrophenyl)-1,2-diazinan-2-ium Openeye Name: (4S)-1,2,4-trimethyl-4-(4-nitrophenyl)hexahydropyridazin-2-ium CAS Name: (4S)-1,2,4-trimethyl-4-(4-nitrophenyl)diazinan-2-ium IUPAC Name: (4S)-1,2,4-trimethyl-4-(4-nitrophenyl)diazinan-2-ium Traditional Name: (4S)-1,2,4-trimethyl-4-(4-nitrophenyl)hexahydropyridazin-2-ium Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN([NH+](C1)C)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@]1(CCN([NH+](C1)C)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O2/c1-13(8-9-14(2)15(3)10-13)11-4-6-12(7-5-11)16(17)18/h4-7H,8-10H2,1-3H3/p+1/t13-/m1/s1