[4-[[3-methyl-4-(2-thiophen-2-ylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[3-methyl-4-(2-thiophen-2-ylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[3-methyl-4-[[2-(2-thienyl)acetyl]amino]anilino]-4-oxo-butyl]ammonium CAS Name: [4-[3-methyl-4-[(1-oxo-2-thiophen-2-ylethyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]anilino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[3-methyl-4-[[2-(2-thienyl)acetyl]amino]anilino]butyl]ammonium Formula: C17H22N3O2S+ MolecularWeight: 332.44048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCC[NH3+])NC(=O)CC2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCC[NH3+])NC(=O)CC2=CC=CS2

InChI

InChI=1S/C17H21N3O2S/c1-12-10-13(19-16(21)5-2-8-18)6-7-15(12)20-17(22)11-14-4-3-9-23-14/h3-4,6-7,9-10H,2,5,8,11,18H2,1H3,(H,19,21)(H,20,22)/p+1