[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Traditional Name: (2-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(15-3-1-2-4-16(15)22(24)25)21-9-7-20(8-10-21)12-14-5-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2/p+1