2-acetamido-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-acetamido-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-acetamido-N-(1-benzylpiperidin-1-ium-4-yl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-acetamido-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-acetamido-N-(1-benzylpiperidin-1-ium-4-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-acetamido-N-(1-benzylpiperidin-1-ium-4-yl)-1,3-benzothiazole-6-carboxamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-15(27)23-22-25-19-8-7-17(13-20(19)29-22)21(28)24-18-9-11-26(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14H2,1H3,(H,24,28)(H,23,25,27)/p+1