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

Systemtic Name: (5S)-5-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-N-(1-benzylpiperidin-1-ium-4-yl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-N-(1-benzylpiperidin-1-ium-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-N-(1-benzylpiperidin-1-ium-4-yl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N2OS/c1-16-7-8-20-18(13-16)14-21(26-20)22(25)23-19-9-11-24(12-10-19)15-17-5-3-2-4-6-17/h2-6,14,16,19H,7-13,15H2,1H3,(H,23,25)/p+1/t16-/m0/s1