[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl-[(1S)-2-(1-imidazolyl)-1-phenylethyl]ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenylethyl]azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]ammonium Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH2+]C(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH2+][C@H](CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H25N5O2/c1-28-15-20(24(27-28)19-7-8-22-23(13-19)31-12-11-30-22)14-26-21(16-29-10-9-25-17-29)18-5-3-2-4-6-18/h2-10,13,15,17,21,26H,11-12,14,16H2,1H3/p+1/t21-/m1/s1