[4-(1-adamantylmethoxy)-3-ethoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [4-(1-adamantylmethoxy)-3-ethoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [4-(1-adamantylmethoxy)-3-ethoxy-phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [4-(1-adamantylmethoxy)-3-ethoxyphenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [4-(1-adamantylmethoxy)-3-ethoxyphenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [4-(1-adamantylmethoxy)-3-ethoxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C26H35N2O2+ MolecularWeight: 407.5683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CN=CC=C2)OCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CN=CC=C2)OCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N2O2/c1-2-29-25-11-19(15-28-17-20-4-3-7-27-16-20)5-6-24(25)30-18-26-12-21-8-22(13-26)10-23(9-21)14-26/h3-7,11,16,21-23,28H,2,8-10,12-15,17-18H2,1H3/p+1