N-phenyl-2-(2-piperidin-1-ium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-phenyl-2-(2-piperidin-1-ium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-phenyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-phenyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-phenyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2S/c26-19(15-25-13-7-2-8-14-25)24-22-20(17-11-5-6-12-18(17)28-22)21(27)23-16-9-3-1-4-10-16/h1,3-4,9-10H,2,5-8,11-15H2,(H,23,27)(H,24,26)/p+1