N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pyrazol-1-yl-benzamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCOCC4

InChI

InChI=1S/C23H26N4O3/c1-29-21-9-5-18(6-10-21)22(26-13-15-30-16-14-26)17-24-23(28)19-3-7-20(8-4-19)27-12-2-11-25-27/h2-12,22H,13-17H2,1H3,(H,24,28)/p+1/t22-/m0/s1