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

Systemtic Name: 1-(diphenylmethyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium Openeye Name: 1-benzhydryl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-(3-methyl-5-nitro-4-imidazolyl)piperazin-1-ium IUPAC Name: 1-benzhydryl-4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-ium Traditional Name: 1-benzhydryl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O2/c1-23-16-22-20(26(27)28)21(23)25-14-12-24(13-15-25)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3/p+1