N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-morpholin-4-ium-4-yl-propanamide

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-morpholin-4-ium-4-yl-propanamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-morpholin-4-ium-4-yl-propanamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-morpholin-4-iumyl)propanamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-morpholin-4-ium-4-ylpropanamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-morpholin-4-ium-4-yl-propionamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCOCC3

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C17H23N3O2S/c1-12-2-3-13-14(11-18)17(23-15(13)10-12)19-16(21)4-5-20-6-8-22-9-7-20/h12H,2-10H2,1H3,(H,19,21)/p+1/t12-/m1/s1