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

Systemtic Name: 3-methyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-methyl-benzothiophene-2-carboxamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-16-19-9-5-6-10-20(19)29-22(16)23(28)25-18-11-13-26(14-12-18)15-21(27)24-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3,(H,24,27)(H,25,28)/p+1