[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [4-(2-hydroxyethoxy)-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [4-(2-hydroxyethoxy)-3-methoxy-benzyl]-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)OCCO

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)OCCO

InChI

InChI=1S/C16H26N2O3/c1-20-16-10-14(2-3-15(16)21-9-8-19)12-18-11-13-4-6-17-7-5-13/h2-3,10,13,17-19H,4-9,11-12H2,1H3/p+2