N-(2-dimethylaminoethyl)-N-thiophen-2-yl-propanamide; 2,4,6-trinitrophenolate

Systemtic Name: N-(2-dimethylaminoethyl)-N-thiophen-2-yl-propanamide; 2,4,6-trinitrophenolate Openeye Name: N-(2-dimethylaminoethyl)-N-(2-thienyl)propanamide; 2,4,6-trinitrophenolate CAS Name: N-(2-dimethylaminoethyl)-N-thiophen-2-ylpropanamide; 2,4,6-trinitrophenolate IUPAC Name: N-(2-dimethylaminoethyl)-N-thiophen-2-ylpropanamide; 2,4,6-trinitrophenolate Traditional Name: N-(2-dimethylaminoethyl)-N-(2-thienyl)propionamide picrate Formula: C17H20N5O8S- MolecularWeight: 454.4344

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C11H18N2OS.C6H3N3O7/c1-4-10(14)13(8-7-12(2)3)11-6-5-9-15-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-6,9H,4,7-8H2,1-3H3;1-2,10H/p-1