(3S)-3-methyl-1-(4-nitrophenyl)piperazin-4-ium

Systemtic Name: (3S)-3-methyl-1-(4-nitrophenyl)piperazin-4-ium Openeye Name: (3S)-3-methyl-1-(4-nitrophenyl)piperazin-4-ium CAS Name: (3S)-3-methyl-1-(4-nitrophenyl)piperazin-4-ium IUPAC Name: (3S)-3-methyl-1-(4-nitrophenyl)piperazin-4-ium Traditional Name: (3S)-3-methyl-1-(4-nitrophenyl)piperazin-4-ium Formula: C11H16N3O2+ MolecularWeight: 222.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O2/c1-9-8-13(7-6-12-9)10-2-4-11(5-3-10)14(15)16/h2-5,9,12H,6-8H2,1H3/p+1/t9-/m0/s1