N-cyclopropyl-4-methoxy-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-cyclopropyl-4-methoxy-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-cyclopropyl-4-methoxy-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-cyclopropyl-4-methoxy-3-[[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-cyclopropyl-4-methoxy-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-cyclopropyl-4-methoxy-3-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]oxy-benzamide Formula: C24H31N2O3S+ MolecularWeight: 427.57954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CC[NH+](CC3)CC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CC[NH+](CC3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H30N2O3S/c1-28-22-10-5-18(24(27)25-19-6-7-19)15-23(22)29-20-11-13-26(14-12-20)16-17-3-8-21(30-2)9-4-17/h3-5,8-10,15,19-20H,6-7,11-14,16H2,1-2H3,(H,25,27)/p+1