3-(2-methoxyphenyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(2-methoxyphenyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(2-methoxyphenyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]pyrazole-4-carboxamide CAS Name: 3-(2-methoxyphenyl)-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(2-methoxyphenyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(2-methoxyphenyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]pyrazole-4-carboxamide Formula: C30H33N4O3+ MolecularWeight: 497.60802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)N[C@@H](C[NH+]3CCOCC3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O3/c1-36-28-15-9-8-14-25(28)29-26(21-34(32-29)20-23-10-4-2-5-11-23)30(35)31-27(24-12-6-3-7-13-24)22-33-16-18-37-19-17-33/h2-15,21,27H,16-20,22H2,1H3,(H,31,35)/p+1/t27-/m0/s1