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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C24H30N3OS+ MolecularWeight: 408.5795

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N3OS/c28-23(13-8-14-24-26-21-11-4-5-12-22(21)29-24)25-17-19-9-2-3-10-20(19)18-27-15-6-1-7-16-27/h2-5,9-12H,1,6-8,13-18H2,(H,25,28)/p+1