[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-yl-azanium

Systemtic Name: [3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-yl-azanium Openeye Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium CAS Name: [3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-[(1-methyl-2-imidazolyl)methyl]-propan-2-ylammonium IUPAC Name: [3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-ylazanium Traditional Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CN(N=C1C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4)CC5=NC=CN5C

Isomeric SMILES

CC(C)[NH+](CC1=CN(N=C1C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4)CC5=NC=CN5C

InChI

InChI=1S/C27H29N5O/c1-20(2)31(19-26-28-13-14-30(26)3)17-23-18-32(16-21-9-5-4-6-10-21)29-27(23)25-15-22-11-7-8-12-24(22)33-25/h4-15,18,20H,16-17,19H2,1-3H3/p+1