[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-3-isoxazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H22N5O3S+ MolecularWeight: 436.50678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)OCC3=CC(=NO3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)OCC3=CC(=NO3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H21N5O3S/c1-15-24-18-12-16(5-6-20(18)31-15)29-14-17-13-19(25-30-17)22(28)27-10-8-26(9-11-27)21-4-2-3-7-23-21/h2-7,12-13H,8-11,14H2,1H3/p+1