1-(3-methyl-5-nitro-imidazol-4-yl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-ium Traditional Name: 1-benzyl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium Formula: C15H20N5O2+ MolecularWeight: 302.3516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O2/c1-17-12-16-14(20(21)22)15(17)19-9-7-18(8-10-19)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3/p+1