1-(2-chloroethyl)-1-methyl-pyrrolidin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-(2-chloroethyl)-1-methyl-pyrrolidin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-(2-chloroethyl)-1-methyl-pyrrolidin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-(2-chloroethyl)-1-methylpyrrolidin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-(2-chloroethyl)-1-methylpyrrolidin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-(2-chloroethyl)-1-methyl-pyrrolidin-1-ium picrate Formula: C13H17ClN4O7 MolecularWeight: 376.74968

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H15ClN.C6H3N3O7/c1-9(7-4-8)5-2-3-6-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H2,1H3;1-2,10H/q+1;/p-1