(3S)-1-(2-chloranyl-6-nitro-phenyl)-3-methyl-piperazin-4-ium

Systemtic Name: (3S)-1-(2-chloranyl-6-nitro-phenyl)-3-methyl-piperazin-4-ium Openeye Name: (3S)-1-(2-chloro-6-nitro-phenyl)-3-methyl-piperazin-4-ium CAS Name: (3S)-1-(2-chloro-6-nitrophenyl)-3-methylpiperazin-4-ium IUPAC Name: (3S)-1-(2-chloro-6-nitrophenyl)-3-methylpiperazin-4-ium Traditional Name: (3S)-1-(2-chloro-6-nitro-phenyl)-3-methyl-piperazin-4-ium Formula: C11H15ClN3O2+ MolecularWeight: 256.7087

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H14ClN3O2/c1-8-7-14(6-5-13-8)11-9(12)3-2-4-10(11)15(16)17/h2-4,8,13H,5-7H2,1H3/p+1/t8-/m0/s1