1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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