[1-(phenylmethyl)pyrazol-4-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: [1-(phenylmethyl)pyrazol-4-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-[(2,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: [1-(phenylmethyl)-4-pyrazolyl]methyl-[(2,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-(2,4,5-trimethoxybenzyl)ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH2+]CC2=CN(N=C2)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH2+]CC2=CN(N=C2)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H25N3O3/c1-25-19-10-21(27-3)20(26-2)9-18(19)13-22-11-17-12-23-24(15-17)14-16-7-5-4-6-8-16/h4-10,12,15,22H,11,13-14H2,1-3H3/p+1