N,N-dimethyl-2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine hydrate hydrochloride

Systemtic Name: N,N-dimethyl-2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine hydrate hydrochloride Openeye Name: N,N-dimethyl-2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine hydrate hydrochloride CAS Name: N,N-dimethyl-2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine hydrate hydrochloride IUPAC Name: N,N-dimethyl-2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine hydrate hydrochloride Traditional Name: dimethyl-[2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethyl]amine hydrate hydrochloride Formula: C19H24ClN3O3 MolecularWeight: 377.86516

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)[N+](=O)[O-].O.Cl

Isomeric SMILES

CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)[N+](=O)[O-].O.Cl

InChI

InChI=1S/C19H21N3O2.ClH.H2O/c1-21(2)12-11-16-13-15-5-3-4-6-18(15)19(20-16)14-7-9-17(10-8-14)22(23)24;;/h3-10,16H,11-13H2,1-2H3;1H;1H2