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

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(2-nitrobenzyl)piperazin-4-ium Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-32-25-12-11-22(17-26(25)33-20-21-7-3-2-4-8-21)18-27-13-15-28(16-14-27)19-23-9-5-6-10-24(23)29(30)31/h2-12,17H,13-16,18-20H2,1H3/p+1