1-(2-nitroimidazol-1-yl)-3-[(phenylmethyl)amino]propan-2-ol hydrochloride

Systemtic Name: 1-(2-nitroimidazol-1-yl)-3-[(phenylmethyl)amino]propan-2-ol hydrochloride Openeye Name: 1-(benzylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrochloride CAS Name: 1-(2-nitro-1-imidazolyl)-3-[(phenylmethyl)amino]-2-propanol hydrochloride IUPAC Name: 1-(benzylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrochloride Traditional Name: 1-(benzylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrochloride Formula: C13H17ClN4O3 MolecularWeight: 312.75208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(CN2C=CN=C2[N+](=O)[O-])O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CNCC(CN2C=CN=C2[N+](=O)[O-])O.Cl

InChI

InChI=1S/C13H16N4O3.ClH/c18-12(9-14-8-11-4-2-1-3-5-11)10-16-7-6-15-13(16)17(19)20;/h1-7,12,14,18H,8-10H2;1H