diethyl-methyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]azanium; 2,4,6-trinitrophenolate

Systemtic Name: diethyl-methyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]azanium; 2,4,6-trinitrophenolate Openeye Name: diethyl-methyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]ammonium; 2,4,6-trinitrophenolate CAS Name: diethyl-methyl-[2-(1-methyl-1-azepan-1-iumyl)ethyl]ammonium; 2,4,6-trinitrophenolate IUPAC Name: diethyl-methyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]azanium; 2,4,6-trinitrophenolate Traditional Name: diethyl-methyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]ammonium picrate Formula: C20H34N5O7+ MolecularWeight: 456.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC[N+]1(CCCCCC1)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CC[N+]1(CCCCCC1)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H32N2.C6H3N3O7/c1-5-15(3,6-2)13-14-16(4)11-9-7-8-10-12-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-14H2,1-4H3;1-2,10H/q+2;/p-1