(5S)-5-methyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (5S)-5-methyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2S/c1-16-7-8-20-17(13-16)14-21(29-20)23(28)25-19-9-11-26(12-10-19)15-22(27)24-18-5-3-2-4-6-18/h2-6,14,16,19H,7-13,15H2,1H3,(H,24,27)(H,25,28)/p+1/t16-/m0/s1