[4-[[2-methyl-5-(2-thiophen-2-ylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[2-methyl-5-(2-thiophen-2-ylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-methyl-5-[[2-(2-thienyl)acetyl]amino]anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-methyl-5-[(1-oxo-2-thiophen-2-ylethyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-methyl-5-[(2-thiophen-2-ylacetyl)amino]anilino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[2-methyl-5-[[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=C(C=C1)NC(=O)CC2=CC=CS2)NC(=O)CCC[NH3+]

Isomeric SMILES

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

InChI

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