[(2S)-6-(hydroxymethyl)-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl]methyl-propan-2-yl-azanium

Systemtic Name: [(2S)-6-(hydroxymethyl)-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl]methyl-propan-2-yl-azanium Openeye Name: [(2S)-6-(hydroxymethyl)-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl]methyl-isopropyl-ammonium CAS Name: [(2S)-6-(hydroxymethyl)-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl]methyl-propan-2-ylammonium IUPAC Name: [(2S)-6-(hydroxymethyl)-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl]methyl-propan-2-ylazanium Traditional Name: isopropyl-[[(2S)-6-methylol-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl]methyl]ammonium Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO

Isomeric SMILES

CC(C)[NH2+]C[C@@H]1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO

InChI

InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/p+1/t12-/m0/s1