3-chloranyl-6-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methyl-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methyl-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methyl-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide Formula: C22H26ClN2O2S+ MolecularWeight: 417.97204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC(C3=CC=C(O3)C)[NH+]4CCCCC4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC[C@@H](C3=CC=C(O3)C)[NH+]4CCCCC4)Cl

InChI

InChI=1S/C22H25ClN2O2S/c1-14-6-8-16-19(12-14)28-21(20(16)23)22(26)24-13-17(18-9-7-15(2)27-18)25-10-4-3-5-11-25/h6-9,12,17H,3-5,10-11,13H2,1-2H3,(H,24,26)/p+1/t17-/m0/s1