(4-methoxyphenyl)methyl-[(5-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[(5-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (1-allyl-5-methyl-pyrazol-4-yl)methyl-[(4-methoxyphenyl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[(5-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (1-allyl-5-methyl-pyrazol-4-yl)methyl-p-anisyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC=C)C[NH+](CC2CCCO2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=NN1CC=C)C[NH+](C[C@H]2CCCO2)CC3=CC=C(C=C3)OC

InChI

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