(2-azanyl-1,3-benzothiazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-azanyl-1,3-benzothiazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-amino-1,3-benzothiazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-amino-1,3-benzothiazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-amino-1,3-benzothiazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C17H18N5OS+ MolecularWeight: 340.42272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

InChI

InChI=1S/C17H17N5OS/c18-17-20-13-11-12(4-5-14(13)24-17)16(23)22-9-7-21(8-10-22)15-3-1-2-6-19-15/h1-6,11H,7-10H2,(H2,18,20)/p+1