N-(2-tert-butylsulfanylethyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-tert-butylsulfanylethyl)benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-tert-butylsulfanylethyl)benzamide Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-[2-(tert-butylthio)ethyl]benzamide Formula: C26H37N2OS+ MolecularWeight: 425.64978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H36N2OS/c1-26(2,3)30-18-15-27-25(29)24-11-9-23(10-12-24)20-28-16-13-22(14-17-28)19-21-7-5-4-6-8-21/h4-12,22H,13-20H2,1-3H3,(H,27,29)/p+1