3-(1,3-benzothiazol-3-ium-3-yl)-N-[[methyl(pyrrolidin-1-yl)amino]methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-[[methyl(pyrrolidin-1-yl)amino]methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-[[methyl(pyrrolidin-1-yl)amino]methyl]propanamide CAS Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-[[methyl(1-pyrrolidinyl)amino]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-[[methyl(pyrrolidin-1-yl)amino]methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-[[methyl(pyrrolidino)amino]methyl]propionamide Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CNC(=O)CC[N+]1=CSC2=CC=CC=C21)N3CCCC3

Isomeric SMILES

CN(CNC(=O)CC[N+]1=CSC2=CC=CC=C21)N3CCCC3

InChI

InChI=1S/C16H22N4OS/c1-18(20-9-4-5-10-20)12-17-16(21)8-11-19-13-22-15-7-3-2-6-14(15)19/h2-3,6-7,13H,4-5,8-12H2,1H3/p+1