2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C24H30N3OS+ MolecularWeight: 408.5795

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N3OS/c1-3-17-8-7-9-18(4-2)23(17)26-22(28)16-27-14-12-19(13-15-27)24-25-20-10-5-6-11-21(20)29-24/h5-11,19H,3-4,12-16H2,1-2H3,(H,26,28)/p+1