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

Systemtic Name: [(3R)-1-methylpiperidin-1-ium-3-yl]methyl-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]-phenethyl-azanium Openeye Name: [4-(4-hydroxybut-1-ynyl)phenyl]methyl-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium CAS Name: [4-(4-hydroxybut-1-ynyl)phenyl]methyl-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-phenethylammonium IUPAC Name: [4-(4-hydroxybut-1-ynyl)phenyl]methyl-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethylazanium Traditional Name: [4-(4-hydroxybut-1-ynyl)benzyl]-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium Formula: C26H36N2O+2 MolecularWeight: 392.57684

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C[NH+](CCC2=CC=CC=C2)CC3=CC=C(C=C3)C#CCCO

Isomeric SMILES

C[NH+]1CCC[C@H](C1)C[NH+](CCC2=CC=CC=C2)CC3=CC=C(C=C3)C#CCCO

InChI

InChI=1S/C26H34N2O/c1-27-17-7-11-26(20-27)22-28(18-16-23-8-3-2-4-9-23)21-25-14-12-24(13-15-25)10-5-6-19-29/h2-4,8-9,12-15,26,29H,6-7,11,16-22H2,1H3/p+2/t26-/m1/s1