N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-1,3-benzothiazol-2-amine CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]amine Formula: C18H22N5S+ MolecularWeight: 340.46578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N5S/c1-22-8-10-23(11-9-22)17-7-6-14(12-19-17)13-20-18-21-15-4-2-3-5-16(15)24-18/h2-7,12H,8-11,13H2,1H3,(H,20,21)/p+1