N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-oxo-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C22H34N4O2S+2 MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCC4

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCC4

InChI

InChI=1S/C22H32N4O2S/c1-16-7-13-25(14-8-16)10-4-9-23-20(27)17-5-6-19-18(15-17)24-21(28)22(29-19)26-11-2-3-12-26/h5-6,15-16,22H,2-4,7-14H2,1H3,(H,23,27)(H,24,28)/p+2