2-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]ethyl-methyl-azanium

Systemtic Name: 2-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]ethyl-methyl-azanium Openeye Name: 2-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]ethyl-methyl-ammonium CAS Name: 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]ethyl-methylammonium IUPAC Name: 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]ethyl-methylazanium Traditional Name: 2-[1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]ethyl-methyl-ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CC[NH2+]C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CC[NH2+]C)O

InChI

InChI=1S/C17H28N2O2/c1-3-21-17-12-15(4-5-16(17)20)13-19-10-7-14(8-11-19)6-9-18-2/h4-5,12,14,18,20H,3,6-11,13H2,1-2H3/p+2