1-ethyl-4-phenyl-1-propan-2-yl-piperidin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-ethyl-4-phenyl-1-propan-2-yl-piperidin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-ethyl-1-isopropyl-4-phenyl-piperidin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-ethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-ethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-ethyl-1-isopropyl-4-phenyl-piperidin-1-ium picrate Formula: C22H28N4O7 MolecularWeight: 460.48032

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)C2=CC=CC=C2)C(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)C2=CC=CC=C2)C(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H26N.C6H3N3O7/c1-4-17(14(2)3)12-10-16(11-13-17)15-8-6-5-7-9-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-9,14,16H,4,10-13H2,1-3H3;1-2,10H/q+1;/p-1