(2-azanyl-1,3-benzothiazol-5-yl)-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-azanyl-1,3-benzothiazol-5-yl)-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]methanone Openeye Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]methanone CAS Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(2,6-dimethyl-4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]methanone Traditional Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazino]methanone Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

Isomeric SMILES

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

InChI

InChI=1S/C19H21N5OS/c1-12-9-15(10-13(2)21-12)23-5-7-24(8-6-23)18(25)14-3-4-17-16(11-14)22-19(20)26-17/h3-4,9-11H,5-8H2,1-2H3,(H2,20,22)/p+1