[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl-prop-2-ynyl-azanium

Systemtic Name: [3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl-prop-2-ynyl-azanium Openeye Name: [1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-prop-2-ynyl-ammonium CAS Name: [3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-prop-2-ynylammonium IUPAC Name: [1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-prop-2-ynylazanium Traditional Name: [1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-propargyl-ammonium Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CC#C)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CC#C)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O/c1-3-13-22-14-19-16-24(15-17-7-5-4-6-8-17)23-21(19)18-9-11-20(25-2)12-10-18/h1,4-12,16,22H,13-15H2,2H3/p+1