7-nitro-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 7-nitro-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 2-benzyl-7-nitro-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 7-nitro-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 2-benzyl-7-nitro-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 2-benzyl-7-nitro-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl

InChI

InChI=1S/C16H16N2O2.ClH/c19-18(20)16-7-6-14-8-9-17(12-15(14)10-16)11-13-4-2-1-3-5-13;/h1-7,10H,8-9,11-12H2;1H