2-[[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methylamino]ethyl-dimethylazanium Traditional Name: 2-[[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methylamino]ethyl-dimethyl-ammonium Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNCC1=CN(N=C1C2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNCC1=CN(N=C1C2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O/c1-25(2)14-13-23-15-20-17-26(16-18-7-5-4-6-8-18)24-22(20)19-9-11-21(27-3)12-10-19/h4-12,17,23H,13-16H2,1-3H3/p+1