5-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-(3-methoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenylpyrazole-3-carboxamide Traditional Name: 5-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-29-20-9-5-6-18(16-20)21-17-22(27(25-21)19-7-3-2-4-8-19)23(28)24-10-11-26-12-14-30-15-13-26/h2-9,16-17H,10-15H2,1H3,(H,24,28)/p+1