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

Systemtic Name: 3-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-6-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-6-methyl-benzothiophene-2-carboxamide Formula: C21H24ClN2O2S+ MolecularWeight: 403.94546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-14-7-8-15-18(12-14)27-20(19(15)22)21(25)23-13-16(17-6-5-11-26-17)24-9-3-2-4-10-24/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,23,25)/p+1/t16-/m0/s1