N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propionamide Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)CCN2C(=O)CSC3=CC=CC=C32)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)CCN2C(=O)CSC3=CC=CC=C32)[NH+]4CCCC4

InChI

InChI=1S/C24H29N3O3S/c1-30-19-8-6-7-18(15-19)21(26-12-4-5-13-26)16-25-23(28)11-14-27-20-9-2-3-10-22(20)31-17-24(27)29/h2-3,6-10,15,21H,4-5,11-14,16-17H2,1H3,(H,25,28)/p+1/t21-/m0/s1