5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-aniline

Systemtic Name: 5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-aniline Openeye Name: 5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-aniline CAS Name: 5-[(3S)-3-methyl-1-piperazin-4-iumyl]-2-nitroaniline IUPAC Name: 5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitroaniline Traditional Name: [5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitro-phenyl]amine Formula: C11H17N4O2+ MolecularWeight: 237.27828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O2/c1-8-7-14(5-4-13-8)9-2-3-11(15(16)17)10(12)6-9/h2-3,6,8,13H,4-5,7,12H2,1H3/p+1/t8-/m0/s1