1-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate Openeye Name: 1-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate CAS Name: 1-[2-(1-piperidin-1-iumyl)ethyl]-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate IUPAC Name: 1-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate Traditional Name: 1-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydrocarbostyril picrate Formula: C22H25N5O8 MolecularWeight: 487.4626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C(=O)CCC3=CC=CC=C32.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C(=O)CCC3=CC=CC=C32.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O.C6H3N3O7/c19-16-9-8-14-6-2-3-7-15(14)18(16)13-12-17-10-4-1-5-11-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-3,6-7H,1,4-5,8-13H2;1-2,10H