2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C18H21ClN4O2S/c1-12-2-3-13(19)10-15(12)23-7-5-22(6-8-23)11-16(24)21-18-14(17(20)25)4-9-26-18/h2-4,9-10H,5-8,11H2,1H3,(H2,20,25)(H,21,24)/p+1