1-ethyl-4-(phenylmethyl)-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-ethyl-4-(phenylmethyl)-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 4-benzyl-1-ethyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-ethyl-4-(phenylmethyl)-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 4-benzyl-1-ethyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 4-benzyl-1-ethyl-1,2,3,4-tetrahydroquinolin-1-ium picrate Formula: C24H24N4O7 MolecularWeight: 480.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C2=CC=CC=C21)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCC(C2=CC=CC=C21)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H21N.C6H3N3O7/c1-2-19-13-12-16(14-15-8-4-3-5-9-15)17-10-6-7-11-18(17)19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-11,16H,2,12-14H2,1H3;1-2,10H