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

Systemtic Name: 3-[[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[1-benzyl-3-(4-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=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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