3-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 3-(3-methoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-30-21-9-5-8-20(16-21)23-22(18-28(26-23)17-19-6-3-2-4-7-19)24(29)25-10-11-27-12-14-31-15-13-27/h2-9,16,18H,10-15,17H2,1H3,(H,25,29)/p+1