(2-methyl-1,3-benzothiazol-6-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methyl-1,3-benzothiazol-6-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-methyl-1,3-benzothiazol-6-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2-methyl-1,3-benzothiazol-6-yl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-1,3-benzothiazol-6-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-methyl-1,3-benzothiazol-6-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H19N4OS+ MolecularWeight: 339.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H18N4OS/c1-13-20-15-6-5-14(12-16(15)24-13)18(23)22-10-8-21(9-11-22)17-4-2-3-7-19-17/h2-7,12H,8-11H2,1H3/p+1