(3-methoxyphenyl)methyl-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (3-methoxyphenyl)methyl-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (3-methoxyphenyl)methyl-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (3-methoxyphenyl)methyl-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-m-anisyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+](CC2CCCO2)CC3=CC(=CC=C3)OC)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+](C[C@H]2CCCO2)CC3=CC(=CC=C3)OC)CC=C

InChI

InChI=1S/C21H29N3O2/c1-4-10-24-15-19(17(2)22-24)14-23(16-21-9-6-11-26-21)13-18-7-5-8-20(12-18)25-3/h4-5,7-8,12,15,21H,1,6,9-11,13-14,16H2,2-3H3/p+1/t21-/m1/s1