(5S)-5-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (5S)-5-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-methyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C22H28N2O2S/c1-16-6-7-20-19(12-16)13-21(27-20)22(25)23-14-17-4-2-3-5-18(17)15-24-8-10-26-11-9-24/h2-5,13,16H,6-12,14-15H2,1H3,(H,23,25)/p+1/t16-/m0/s1