(2S)-2-methyl-3-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: (2S)-2-methyl-3-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide Openeye Name: (2S)-2-methyl-3-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide CAS Name: (2S)-2-methyl-3-oxo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: (2S)-2-methyl-3-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide Traditional Name: (2S)-3-keto-2-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C22H25N3O2S/c1-15-21(26)24-19-12-16(8-9-20(19)28-15)22(27)23-13-17-6-2-3-7-18(17)14-25-10-4-5-11-25/h2-3,6-9,12,15H,4-5,10-11,13-14H2,1H3,(H,23,27)(H,24,26)/p+1/t15-/m0/s1