2-[4-(1-benzothiophen-3-yl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]-N-(2-methyl-1-oxidanyl-propan-2-yl)ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-yl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]-N-(2-methyl-1-oxidanyl-propan-2-yl)ethanamide Openeye Name: 2-[4-(benzothiophen-3-yl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]-N-(2-hydroxy-1,1-dimethyl-ethyl)acetamide CAS Name: 2-[4-(1-benzothiophen-3-yl)-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide IUPAC Name: 2-[4-(1-benzothiophen-3-yl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide Traditional Name: 2-[4-(benzothiophen-3-yl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]-N-(2-hydroxy-1,1-dimethyl-ethyl)acetamide Formula: C30H36N4O3S+2 MolecularWeight: 532.69684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(=O)COC1=C(C=C(C=C1)C2=CSC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC(C)(CO)NC(=O)COC1=C(C=C(C=C1)C2=CSC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C30H34N4O3S/c1-30(2,21-35)32-29(36)19-37-26-11-10-22(25-20-38-27-8-4-3-7-24(25)27)17-23(26)18-33-13-15-34(16-14-33)28-9-5-6-12-31-28/h3-12,17,20,35H,13-16,18-19,21H2,1-2H3,(H,32,36)/p+2