1-[(4-ethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-ethoxybenzyl)-4-(4-nitrobenzyl)piperazin-4-ium Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-2-26-20-9-5-18(6-10-20)16-22-13-11-21(12-14-22)15-17-3-7-19(8-4-17)23(24)25/h3-10H,2,11-16H2,1H3/p+1