(4-cyclopentyloxy-3-methoxy-phenyl)methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: (4-cyclopentyloxy-3-methoxy-phenyl)methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: [4-(cyclopentoxy)-3-methoxy-phenyl]methyl-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium CAS Name: (4-cyclopentyloxy-3-methoxyphenyl)methyl-(2-hydroxyethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (4-cyclopentyloxy-3-methoxyphenyl)methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: [4-(cyclopentoxy)-3-methoxy-benzyl]-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+](CCO)CC2=CN=CC=C2)OC3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+](CCO)CC2=CN=CC=C2)OC3CCCC3

InChI

InChI=1S/C21H28N2O3/c1-25-21-13-17(8-9-20(21)26-19-6-2-3-7-19)15-23(11-12-24)16-18-5-4-10-22-14-18/h4-5,8-10,13-14,19,24H,2-3,6-7,11-12,15-16H2,1H3/p+1