2-hydroxyethyl-[[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]azanium

Systemtic Name: 2-hydroxyethyl-[[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]azanium Openeye Name: 2-hydroxyethyl-[[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]ammonium CAS Name: 2-hydroxyethyl-[[3-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]ammonium IUPAC Name: 2-hydroxyethyl-[[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]azanium Traditional Name: 2-hydroxyethyl-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzyl]ammonium Formula: C17H30N2O3+2 MolecularWeight: 310.4317

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCO)OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCO)OCC[NH+]2CCCCC2

InChI

InChI=1S/C17H28N2O3/c1-21-17-13-15(14-18-7-11-20)5-6-16(17)22-12-10-19-8-3-2-4-9-19/h5-6,13,18,20H,2-4,7-12,14H2,1H3/p+2