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

Systemtic Name: 2-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylammonio]ethyl-dimethyl-ammonium Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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