1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(3-nitrobenzyl)piperazin-4-ium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H27N3O4/c1-3-28-21-14-18(7-8-20(21)27-2)16-23-11-9-22(10-12-23)15-17-5-4-6-19(13-17)24(25)26/h4-8,13-14H,3,9-12,15-16H2,1-2H3/p+1