(4-methyl-3-nitro-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c1-14-8-9-16(12-17(14)22(24)25)19(23)21-11-10-20(2)13-18(21)15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3/p+1/t18-/m0/s1