3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide CAS Name: 3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C23H27N3O2S/c1-17-7-5-10-20-21(17)25-23(28-20)29-16-18-8-6-9-19(15-18)22(27)24-11-14-26-12-3-2-4-13-26/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,27)/p+1