3-(1,3-benzothiazol-2-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]propionamide Formula: C19H23N4OS2+ MolecularWeight: 387.54212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H22N4OS2/c24-17(8-9-18-21-15-6-2-3-7-16(15)26-18)22-19-20-14(13-25-19)12-23-10-4-1-5-11-23/h2-3,6-7,13H,1,4-5,8-12H2,(H,20,22,24)/p+1