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

Systemtic Name: 1-(diphenylmethyl)-4-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]piperazin-1-ium Openeye Name: 1-benzhydryl-4-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]piperazin-1-ium IUPAC Name: 1-benzhydryl-4-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)piperazin-1-ium Traditional Name: 1-benzhydryl-4-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium Formula: C28H30N5O2+ MolecularWeight: 468.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H29N5O2/c1-22-29-27(33(34)35)28(32(22)21-23-11-5-2-6-12-23)31-19-17-30(18-20-31)26(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,26H,17-21H2,1H3/p+1