N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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