4-prop-2-enyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,4-benzothiazin-3-one

Systemtic Name: 4-prop-2-enyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,4-benzothiazin-3-one Openeye Name: 4-allyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,4-benzothiazin-3-one CAS Name: 6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4-prop-2-enyl-1,4-benzothiazin-3-one IUPAC Name: 4-prop-2-enyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,4-benzothiazin-3-one Traditional Name: 4-allyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,4-benzothiazin-3-one Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C=CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H22N4O2S/c1-2-9-25-17-14-16(6-7-18(17)28-15-20(25)26)21(27)24-12-10-23(11-13-24)19-5-3-4-8-22-19/h2-8,14H,1,9-13,15H2/p+1