1-(4-nitrophenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-isopropylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-(4-nitrophenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-isopropylbenzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-16(2)18-5-3-17(4-6-18)15-21-11-13-22(14-12-21)19-7-9-20(10-8-19)23(24)25/h3-10,16H,11-15H2,1-2H3/p+1