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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Traditional Name: (3-nitrophenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H20N3O5+ MolecularWeight: 370.3792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c23-19(15-2-1-3-16(11-15)22(24)25)21-8-6-20(7-9-21)12-14-4-5-17-18(10-14)27-13-26-17/h1-5,10-11H,6-9,12-13H2/p+1