[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-2-(1-imidazolyl)-1-phenylethyl]ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenylethyl]azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]ammonium Formula: C22H22N5O2+ MolecularWeight: 388.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C[NH2+]C(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C[NH2+][C@H](CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2/c1-2-4-16(5-3-1)19(13-27-9-8-23-14-27)24-11-18-12-25-26-22(18)17-6-7-20-21(10-17)29-15-28-20/h1-10,12,14,19,24H,11,13,15H2,(H,25,26)/p+1/t19-/m1/s1