1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrobenzyl)piperazin-4-ium Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CC[NH+](CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CC[NH+](CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-26-18-10-16(11-19-20(18)28-14-27-19)13-22-7-5-21(6-8-22)12-15-3-2-4-17(9-15)23(24)25/h2-4,9-11H,5-8,12-14H2,1H3/p+1