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

Systemtic Name: 2-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-p-anisylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C19H24N4O3S/c1-26-15-4-2-14(3-5-15)12-22-7-9-23(10-8-22)13-17(24)21-19-16(18(20)25)6-11-27-19/h2-6,11H,7-10,12-13H2,1H3,(H2,20,25)(H,21,24)/p+1