1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-4-imidazolyl)piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-ium Traditional Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-piperonyl-piperazin-4-ium Formula: C16H20N5O4+ MolecularWeight: 346.3611

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4/c1-18-10-17-15(21(22)23)16(18)20-6-4-19(5-7-20)9-12-2-3-13-14(8-12)25-11-24-13/h2-3,8,10H,4-7,9,11H2,1H3/p+1