1-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)butyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)butyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)butyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[4-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]butyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)butyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)butyl]piperidin-1-ium-4-carboxamide Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NCCCC[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NCCCC[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C19H29N3O2S/c20-18(23)14-7-11-22(12-8-14)10-4-3-9-21-19(24)16-13-25-17-6-2-1-5-15(16)17/h13-14H,1-12H2,(H2,20,23)(H,21,24)/p+1