3-oxidanylidene-N-phenethyl-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-phenethyl-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-phenethyl-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-phenethyl-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-phenethyl-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-phenethyl-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-20(23-12-11-16-7-3-1-4-8-16)17-9-10-19-18(15-17)24-21(27)22(28-19)25-13-5-2-6-14-25/h1,3-4,7-10,15,22H,2,5-6,11-14H2,(H,23,26)(H,24,27)/p+1