1,3-benzodioxol-4-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-4-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: 1,3-benzodioxol-4-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: 1,3-benzodioxol-4-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-4-ylmethyl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: 1,3-benzodioxol-4-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C20H21N3O2/c1-14(21-11-16-7-6-10-19-20(16)25-13-24-19)18-12-22-23(15(18)2)17-8-4-3-5-9-17/h3-10,12,14,21H,11,13H2,1-2H3/p+1/t14-/m0/s1