1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(4-ethylbenzyl)piperazin-1-ium Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H29N3O4/c1-4-17-5-7-18(8-6-17)15-23-9-11-24(12-10-23)16-19-13-21(28-2)22(29-3)14-20(19)25(26)27/h5-8,13-14H,4,9-12,15-16H2,1-3H3/p+1