N-[3-(dimethylamino)butyl]-N-thiophen-2-yl-propanamide; 2,4,6-trinitrophenolate

Systemtic Name: N-[3-(dimethylamino)butyl]-N-thiophen-2-yl-propanamide; 2,4,6-trinitrophenolate Openeye Name: N-[3-(dimethylamino)butyl]-N-(2-thienyl)propanamide; 2,4,6-trinitrophenolate CAS Name: N-[3-(dimethylamino)butyl]-N-thiophen-2-ylpropanamide; 2,4,6-trinitrophenolate IUPAC Name: N-[3-(dimethylamino)butyl]-N-thiophen-2-ylpropanamide; 2,4,6-trinitrophenolate Traditional Name: N-[3-(dimethylamino)butyl]-N-(2-thienyl)propionamide picrate Formula: C19H24N5O8S- MolecularWeight: 482.48756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCC(C)N(C)C)C1=CC=CS1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N(CCC(C)N(C)C)C1=CC=CS1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H22N2OS.C6H3N3O7/c1-5-12(16)15(13-7-6-10-17-13)9-8-11(2)14(3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-7,10-11H,5,8-9H2,1-4H3;1-2,10H/p-1