5-methyl-1-piperidin-1-ium-1-yl-hex-4-en-3-one; 2,4,6-trinitrophenolate

Systemtic Name: 5-methyl-1-piperidin-1-ium-1-yl-hex-4-en-3-one; 2,4,6-trinitrophenolate Openeye Name: 5-methyl-1-piperidin-1-ium-1-yl-hex-4-en-3-one; 2,4,6-trinitrophenolate CAS Name: 5-methyl-1-(1-piperidin-1-iumyl)-4-hexen-3-one; 2,4,6-trinitrophenolate IUPAC Name: 5-methyl-1-piperidin-1-ium-1-ylhex-4-en-3-one; 2,4,6-trinitrophenolate Traditional Name: 5-methyl-1-piperidin-1-ium-1-yl-hex-4-en-3-one picrate Formula: C18H24N4O8 MolecularWeight: 424.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)CC[NH+]1CCCCC1)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=CC(=O)CC[NH+]1CCCCC1)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H21NO.C6H3N3O7/c1-11(2)10-12(14)6-9-13-7-4-3-5-8-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10H,3-9H2,1-2H3;1-2,10H