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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3OS/c27-22(12-13-23-25-20-6-2-3-7-21(20)28-23)24-16-18-8-10-19(11-9-18)17-26-14-4-1-5-15-26/h2-3,6-11H,1,4-5,12-17H2,(H,24,27)/p+1