3-(4-methylphenyl)propyl-[[(2R)-oxolan-2-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 3-(4-methylphenyl)propyl-[[(2R)-oxolan-2-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 3-(p-tolyl)propyl-(4-pyridylmethyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: 3-(4-methylphenyl)propyl-[[(2R)-2-oxolanyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 3-(4-methylphenyl)propyl-[[(2R)-oxolan-2-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: 3-(p-tolyl)propyl-(4-pyridylmethyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC[NH+](CC2CCCO2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CCC[NH+](C[C@H]2CCCO2)CC3=CC=NC=C3

InChI

InChI=1S/C21H28N2O/c1-18-6-8-19(9-7-18)4-2-14-23(17-21-5-3-15-24-21)16-20-10-12-22-13-11-20/h6-13,21H,2-5,14-17H2,1H3/p+1/t21-/m1/s1