(2S,3S)-5-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-3-oxidanyl-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-5-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-3-oxidanyl-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-3-hydroxy-5-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-3-hydroxy-5-[2-(1-methyl-2-pyrrolidin-1-iumyl)ethyl]-2-(3-thiophenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-3-hydroxy-5-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-3-hydroxy-5-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C20H25N2O2S2+ MolecularWeight: 389.5547

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CCN2C3=CC=CC=C3SC(C(C2=O)O)C4=CSC=C4

Isomeric SMILES

C[NH+]1CCCC1CCN2C3=CC=CC=C3S[C@H]([C@H](C2=O)O)C4=CSC=C4

InChI

InChI=1S/C20H24N2O2S2/c1-21-10-4-5-15(21)8-11-22-16-6-2-3-7-17(16)26-19(18(23)20(22)24)14-9-12-25-13-14/h2-3,6-7,9,12-13,15,18-19,23H,4-5,8,10-11H2,1H3/p+1/t15?,18-,19+/m1/s1