cyclopropyl-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: cyclopropyl-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-cyclopropyl-ammonium CAS Name: cyclopropyl-[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-cyclopropylazanium Traditional Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-cyclopropyl-ammonium Formula: C21H24N3O+ MolecularWeight: 334.43476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]C3CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c1-25-20-9-5-8-17(12-20)21-18(13-22-19-10-11-19)15-24(23-21)14-16-6-3-2-4-7-16/h2-9,12,15,19,22H,10-11,13-14H2,1H3/p+1