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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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