diethyl-[[3-[4-(thiophen-2-ylcarbonylamino)butanoylamino]phenyl]methyl]azanium

Systemtic Name: diethyl-[[3-[4-(thiophen-2-ylcarbonylamino)butanoylamino]phenyl]methyl]azanium Openeye Name: diethyl-[[3-[4-(thiophene-2-carbonylamino)butanoylamino]phenyl]methyl]ammonium CAS Name: diethyl-[[3-[[1-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]phenyl]methyl]ammonium IUPAC Name: diethyl-[[3-[4-(thiophene-2-carbonylamino)butanoylamino]phenyl]methyl]azanium Traditional Name: diethyl-[3-[4-(2-thenoylamino)butanoylamino]benzyl]ammonium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC(=CC=C1)NC(=O)CCCNC(=O)C2=CC=CS2

Isomeric SMILES

CC[NH+](CC)CC1=CC(=CC=C1)NC(=O)CCCNC(=O)C2=CC=CS2

InChI

InChI=1S/C20H27N3O2S/c1-3-23(4-2)15-16-8-5-9-17(14-16)22-19(24)11-6-12-21-20(25)18-10-7-13-26-18/h5,7-10,13-14H,3-4,6,11-12,15H2,1-2H3,(H,21,25)(H,22,24)/p+1