N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4)NC1=O

InChI

InChI=1S/C22H25N3O3S/c26-21-8-13-29-20-7-6-17(14-18(20)23-21)22(27)24-19(16-4-2-1-3-5-16)15-25-9-11-28-12-10-25/h1-7,14,19H,8-13,15H2,(H,23,26)(H,24,27)/p+1/t19-/m1/s1