[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-phenethylammonium IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethylazanium Traditional Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C27H38N2O+2 MolecularWeight: 406.60342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C)O

InChI

InChI=1S/C27H36N2O/c1-27(2,30)17-13-24-9-11-25(12-10-24)21-29(20-16-23-7-5-4-6-8-23)22-26-14-18-28(3)19-15-26/h4-12,26,30H,14-16,18-22H2,1-3H3/p+2