1-(2,3-dimethylphenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O2/c1-15-6-4-9-20(16(15)2)22-12-10-21(11-13-22)17(3)18-7-5-8-19(14-18)23(24)25/h4-9,14,17H,10-13H2,1-3H3/p+1/t17-/m1/s1