2-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(dimethylamino)-5-(1-oxopropylamino)phenyl]methyl-[oxo(thiophen-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(dimethylamino)-5-propionamido-benzyl]-(2-thenoyl)amino]ethyl-dimethyl-ammonium Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC[NH+](C)C)C(=O)C2=CC=CS2

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC[NH+](C)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C21H30N4O2S/c1-6-20(26)22-17-9-10-18(24(4)5)16(14-17)15-25(12-11-23(2)3)21(27)19-8-7-13-28-19/h7-10,13-14H,6,11-12,15H2,1-5H3,(H,22,26)/p+1