1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(4-methoxy-2,5-dimethyl-benzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C)OC

InChI

InChI=1S/C20H25N3O3/c1-15-13-20(26-3)16(2)12-17(15)14-21-8-10-22(11-9-21)18-4-6-19(7-5-18)23(24)25/h4-7,12-13H,8-11,14H2,1-3H3/p+1