1-(2-ethoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-ethoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(2-ethoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(2-ethoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium IUPAC Name: 1-(2-ethoxyphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-o-phenetyl-piperazin-1-ium Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H23N3O5/c1-2-26-18-6-4-3-5-16(18)22-9-7-21(8-10-22)13-15-11-19-20(28-14-27-19)12-17(15)23(24)25/h3-6,11-12H,2,7-10,13-14H2,1H3/p+1