2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2S/c1-25-11-13-26(14-12-25)15-19(27)24-22-20(17-9-5-6-10-18(17)29-22)21(28)23-16-7-3-2-4-8-16/h2-4,7-8H,5-6,9-15H2,1H3,(H,23,28)(H,24,27)/p+1