(2R)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: (2R)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: (2R)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: (2R)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: (2R)-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CC3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)[C@H]2CC3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-21(23-17-7-2-1-3-8-17)15-25-12-10-18(11-13-25)24-22(27)20-14-16-6-4-5-9-19(16)28-20/h1-9,18,20H,10-15H2,(H,23,26)(H,24,27)/p+1/t20-/m1/s1