[4-ethoxy-3-(hydroxymethyl)phenyl]methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-azanium

Systemtic Name: [4-ethoxy-3-(hydroxymethyl)phenyl]methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-azanium Openeye Name: [4-ethoxy-3-(hydroxymethyl)phenyl]methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium CAS Name: [4-ethoxy-3-(hydroxymethyl)phenyl]methyl-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]-phenethylammonium IUPAC Name: [4-ethoxy-3-(hydroxymethyl)phenyl]methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethylazanium Traditional Name: (4-ethoxy-3-methylol-benzyl)-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium Formula: C25H38N2O2+2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](CCC2=CC=CC=C2)CC3CCC[NH+](C3)C)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C)CO

InChI

InChI=1S/C25H36N2O2/c1-3-29-25-12-11-22(16-24(25)20-28)18-27(15-13-21-8-5-4-6-9-21)19-23-10-7-14-26(2)17-23/h4-6,8-9,11-12,16,23,28H,3,7,10,13-15,17-20H2,1-2H3/p+2/t23-/m0/s1