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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitro-4-imidazolyl)piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-5-nitroimidazol-4-yl)piperazine Traditional Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-piperonyl-piperazine Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(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