1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-nitrobenzyl)-4-piperonyl-piperazin-1-ium Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O4/c23-22(24)17-3-1-2-15(10-17)12-20-6-8-21(9-7-20)13-16-4-5-18-19(11-16)26-14-25-18/h1-5,10-11H,6-9,12-14H2/p+1