2-(2-methyl-5-nitro-imidazol-1-yl)-N-(phenylmethyl)ethanamine dihydrochloride

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)-N-(phenylmethyl)ethanamine dihydrochloride Openeye Name: N-benzyl-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamine dihydrochloride CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)-N-(phenylmethyl)ethanamine dihydrochloride IUPAC Name: N-benzyl-2-(2-methyl-5-nitroimidazol-1-yl)ethanamine dihydrochloride Traditional Name: benzyl-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]amine dihydrochloride Formula: C13H18Cl2N4O2 MolecularWeight: 333.21362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNCC2=CC=CC=C2)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CC1=NC=C(N1CCNCC2=CC=CC=C2)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C13H16N4O2.2ClH/c1-11-15-10-13(17(18)19)16(11)8-7-14-9-12-5-3-2-4-6-12;;/h2-6,10,14H,7-9H2,1H3;2*1H