(2S)-2-[(4-methoxyphenyl)methyl]-4-[(1-phenylpyrazol-4-yl)methyl]morpholin-4-ium

Systemtic Name: (2S)-2-[(4-methoxyphenyl)methyl]-4-[(1-phenylpyrazol-4-yl)methyl]morpholin-4-ium Openeye Name: (2S)-2-[(4-methoxyphenyl)methyl]-4-[(1-phenylpyrazol-4-yl)methyl]morpholin-4-ium CAS Name: (2S)-2-[(4-methoxyphenyl)methyl]-4-[(1-phenyl-4-pyrazolyl)methyl]morpholin-4-ium IUPAC Name: (2S)-2-[(4-methoxyphenyl)methyl]-4-[(1-phenylpyrazol-4-yl)methyl]morpholin-4-ium Traditional Name: (2S)-2-p-anisyl-4-[(1-phenylpyrazol-4-yl)methyl]morpholin-4-ium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C[NH+](CCO2)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[C@H]2C[NH+](CCO2)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-26-21-9-7-18(8-10-21)13-22-17-24(11-12-27-22)15-19-14-23-25(16-19)20-5-3-2-4-6-20/h2-10,14,16,22H,11-13,15,17H2,1H3/p+1/t22-/m0/s1