N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-methyl-benzothiophene-2-carboxamide Formula: C22H24ClN2OS+ MolecularWeight: 399.95676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2OS/c1-15-19-4-2-3-5-20(19)27-21(15)22(26)24-18-10-12-25(13-11-18)14-16-6-8-17(23)9-7-16/h2-9,18H,10-14H2,1H3,(H,24,26)/p+1