1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(2-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/c1-3-28-21-14-17(8-9-20(21)27-2)15-22-10-12-23(13-11-22)16-18-6-4-5-7-19(18)24(25)26/h4-9,14H,3,10-13,15-16H2,1-2H3/p+1