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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

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