N-ethyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]benzamide

Systemtic Name: N-ethyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]benzamide Openeye Name: N-ethyl-4-(3-hydroxy-3-methyl-but-1-ynyl)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]benzamide CAS Name: N-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)-N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]benzamide IUPAC Name: N-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]benzamide Traditional Name: N-ethyl-4-(3-hydroxy-3-methyl-but-1-ynyl)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]benzamide Formula: C26H41N3O2+2 MolecularWeight: 427.62264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=CC=C(C=C3)C#CC(C)(C)O

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=CC=C(C=C3)C#CC(C)(C)O

InChI

InChI=1S/C26H39N3O2/c1-5-28(25(30)23-8-6-21(7-9-23)10-15-26(2,3)31)20-22-11-18-29(19-12-22)24-13-16-27(4)17-14-24/h6-9,22,24,31H,5,11-14,16-20H2,1-4H3/p+2