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

Systemtic Name: 3-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylammonio]propyl-dimethyl-ammonium Formula: C23H32N4O+2 MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O/c1-26(2)14-8-13-24-16-21-18-27(17-19-9-5-4-6-10-19)25-23(21)20-11-7-12-22(15-20)28-3/h4-7,9-12,15,18,24H,8,13-14,16-17H2,1-3H3/p+2