(3S)-1-(2,4-dinitrophenyl)-3-methyl-piperazin-4-ium

Systemtic Name: (3S)-1-(2,4-dinitrophenyl)-3-methyl-piperazin-4-ium Openeye Name: (3S)-1-(2,4-dinitrophenyl)-3-methyl-piperazin-4-ium CAS Name: (3S)-1-(2,4-dinitrophenyl)-3-methylpiperazin-4-ium IUPAC Name: (3S)-1-(2,4-dinitrophenyl)-3-methylpiperazin-4-ium Traditional Name: (3S)-1-(2,4-dinitrophenyl)-3-methyl-piperazin-4-ium Formula: C11H15N4O4+ MolecularWeight: 267.2612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O4/c1-8-7-13(5-4-12-8)10-3-2-9(14(16)17)6-11(10)15(18)19/h2-3,6,8,12H,4-5,7H2,1H3/p+1/t8-/m0/s1