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

Systemtic Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-3-oxo-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C21H34N5O2S+3 MolecularWeight: 420.59196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCC4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCC4

InChI

InChI=1S/C21H31N5O2S/c1-24-11-13-25(14-12-24)8-4-7-22-19(27)16-5-6-18-17(15-16)23-20(28)21(29-18)26-9-2-3-10-26/h5-6,15,21H,2-4,7-14H2,1H3,(H,22,27)(H,23,28)/p+3