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

Systemtic Name: 3-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Traditional Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Formula: C23H35N3O2+2 MolecularWeight: 385.5429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)NC2CCC[NH+](C2)C3CC[NH+](CC3)C)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C)O

InChI

InChI=1S/C23H33N3O2/c1-23(2,28)12-9-18-6-4-7-19(16-18)22(27)24-20-8-5-13-26(17-20)21-10-14-25(3)15-11-21/h4,6-7,16,20-21,28H,5,8,10-11,13-15,17H2,1-3H3,(H,24,27)/p+2/t20-/m0/s1