[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-propan-2-yl-azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-propan-2-yl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-isopropyl-methyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl-methyl-propan-2-ylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl-methyl-propan-2-ylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-isopropyl-methyl-ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+](C)CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-16(2)24(3)13-19-14-25(12-17-7-5-4-6-8-17)23-22(19)18-9-10-20-21(11-18)27-15-26-20/h4-11,14,16H,12-13,15H2,1-3H3/p+1