2-[[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methylammonio]ethyl-dimethyl-ammonium Formula: C23H32N4O2+2 MolecularWeight: 396.52578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CC[NH2+]CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c1-26(2)13-12-24-15-20-17-27(16-18-8-6-5-7-9-18)25-23(20)19-10-11-21(28-3)22(14-19)29-4/h5-11,14,17,24H,12-13,15-16H2,1-4H3/p+2