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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]propionamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N5OS/c1-25-10-12-26(13-11-25)19-7-6-16(14-22-19)15-23-20(27)8-9-21-24-17-4-2-3-5-18(17)28-21/h2-7,14H,8-13,15H2,1H3,(H,23,27)/p+1