N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-1,3-benzothiazole-6-carboxamide Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H23N3OS/c25-21(18-8-9-19-20(12-18)26-15-23-19)22-13-16-4-6-17(7-5-16)14-24-10-2-1-3-11-24/h4-9,12,15H,1-3,10-11,13-14H2,(H,22,25)/p+1