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

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H20ClN3O2/c1-13(17-11-23-24(14(17)2)16-6-4-3-5-7-16)22-10-15-8-19-20(9-18(15)21)26-12-25-19/h3-9,11,13,22H,10,12H2,1-2H3/p+1/t13-/m0/s1