(3-ethoxy-2-oxidanyl-phenyl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-azanium

Systemtic Name: (3-ethoxy-2-oxidanyl-phenyl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-azanium Openeye Name: (3-ethoxy-2-hydroxy-phenyl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium CAS Name: (3-ethoxy-2-hydroxyphenyl)methyl-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]-phenethylammonium IUPAC Name: (3-ethoxy-2-hydroxyphenyl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethylazanium Traditional Name: (3-ethoxy-2-hydroxy-benzyl)-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium Formula: C24H36N2O2+2 MolecularWeight: 384.55484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+](CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+](CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C24H34N2O2/c1-3-28-23-13-7-12-22(24(23)27)19-26(16-14-20-9-5-4-6-10-20)18-21-11-8-15-25(2)17-21/h4-7,9-10,12-13,21,27H,3,8,11,14-19H2,1-2H3/p+2/t21-/m0/s1