[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C24H32N4O2+2 MolecularWeight: 408.53648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]CC[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]CC[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c1-29-23-9-5-8-21(16-23)24-22(17-25-10-11-27-12-14-30-15-13-27)19-28(26-24)18-20-6-3-2-4-7-20/h2-9,16,19,25H,10-15,17-18H2,1H3/p+2