2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,5-diethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,5-diethoxyphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,5-diethoxyphenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2,5-diethoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,5-diethoxyphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,5-diethoxyphenyl)acetamide Formula: C24H30N3O3S+ MolecularWeight: 440.5783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N3O3S/c1-3-29-18-9-10-21(30-4-2)20(15-18)25-23(28)16-27-13-11-17(12-14-27)24-26-19-7-5-6-8-22(19)31-24/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,25,28)/p+1