1-(4-nitrophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Openeye Name: 1-[(1R)-1-methyl-3-phenyl-propyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-(4-nitrophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Traditional Name: 1-[(1R)-1-methyl-3-phenyl-propyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2/c1-17(7-8-18-5-3-2-4-6-18)21-13-15-22(16-14-21)19-9-11-20(12-10-19)23(24)25/h2-6,9-12,17H,7-8,13-16H2,1H3/p+1/t17-/m1/s1