1-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium CAS Name: 1-[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)piperazin-1-ium Traditional Name: 1-benzyl-4-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O2/c1-18-23-21(27(28)29)22(26(18)17-20-10-6-3-7-11-20)25-14-12-24(13-15-25)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3/p+1