(2R)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]pyrrolidin-1-ium-2-carboxamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C[NH+]3CCCC3C(=O)N

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C[NH+]3CCC[C@@H]3C(=O)N

InChI

InChI=1S/C17H23N3O2S/c1-12-8-10-20(13-5-2-3-7-15(13)23-12)16(21)11-19-9-4-6-14(19)17(18)22/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H2,18,22)/p+1/t12-,14+/m0/s1