(2-azanyl-1,3-benzothiazol-5-yl)-[4-(3-methylpyridin-1-ium-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-azanyl-1,3-benzothiazol-5-yl)-[4-(3-methylpyridin-1-ium-4-yl)piperazin-1-yl]methanone Openeye Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(3-methylpyridin-1-ium-4-yl)piperazin-1-yl]methanone CAS Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(3-methyl-4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(3-methylpyridin-1-ium-4-yl)piperazin-1-yl]methanone Traditional Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(3-methylpyridin-1-ium-4-yl)piperazino]methanone Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[NH+]=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

Isomeric SMILES

CC1=C(C=C[NH+]=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

InChI

InChI=1S/C18H19N5OS/c1-12-11-20-5-4-15(12)22-6-8-23(9-7-22)17(24)13-2-3-16-14(10-13)21-18(19)25-16/h2-5,10-11H,6-9H2,1H3,(H2,19,21)/p+1