N-[1-[6-methyl-2-nitro-3-(phenylmethyl)phenyl]ethyl]propan-2-amine hydrate hydrochloride

Systemtic Name: N-[1-[6-methyl-2-nitro-3-(phenylmethyl)phenyl]ethyl]propan-2-amine hydrate hydrochloride Openeye Name: N-[1-(3-benzyl-6-methyl-2-nitro-phenyl)ethyl]propan-2-amine hydrate hydrochloride CAS Name: N-[1-[6-methyl-2-nitro-3-(phenylmethyl)phenyl]ethyl]-2-propanamine hydrate hydrochloride IUPAC Name: N-[1-(3-benzyl-6-methyl-2-nitrophenyl)ethyl]propan-2-amine hydrate hydrochloride Traditional Name: 1-(3-benzyl-6-methyl-2-nitro-phenyl)ethyl-isopropyl-amine hydrate hydrochloride Formula: C19H27ClN2O3 MolecularWeight: 366.88228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)CC2=CC=CC=C2)[N+](=O)[O-])C(C)NC(C)C.O.Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)CC2=CC=CC=C2)[N+](=O)[O-])C(C)NC(C)C.O.Cl

InChI

InChI=1S/C19H24N2O2.ClH.H2O/c1-13(2)20-15(4)18-14(3)10-11-17(19(18)21(22)23)12-16-8-6-5-7-9-16;;/h5-11,13,15,20H,12H2,1-4H3;1H;1H2