5-(1,3-benzothiazol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-1-ium-4-yl)thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-1-ium-4-yl)thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-1-ium-4-yl)thiophene-2-carboxamide Formula: C24H24N3OS2+ MolecularWeight: 434.59686

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N3OS2/c28-23(25-18-12-14-27(15-13-18)16-17-6-2-1-3-7-17)21-10-11-22(29-21)24-26-19-8-4-5-9-20(19)30-24/h1-11,18H,12-16H2,(H,25,28)/p+1