2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate CAS Name: 2-phenyl-4-(1-pyrrolidinyl)-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 2-phenyl-4-pyrrolidino-1,2,3,4-tetrahydroquinolin-1-ium picrate Formula: C25H25N5O7 MolecularWeight: 507.4953

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CC([NH2+]C3=CC=CC=C23)C4=CC=CC=C4.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2CC([NH2+]C3=CC=CC=C23)C4=CC=CC=C4.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H22N2.C6H3N3O7/c1-2-8-15(9-3-1)18-14-19(21-12-6-7-13-21)16-10-4-5-11-17(16)20-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5,8-11,18-20H,6-7,12-14H2;1-2,10H