[4-methoxy-3-(4-methoxyphenoxy)phenyl]-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium

Systemtic Name: [4-methoxy-3-(4-methoxyphenoxy)phenyl]-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: [4-methoxy-3-(4-methoxyphenoxy)phenyl]-[(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: [4-methoxy-3-(4-methoxyphenoxy)phenyl]-[(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]ammonium IUPAC Name: [4-methoxy-3-(4-methoxyphenoxy)phenyl]-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]-[4-methoxy-3-(4-methoxyphenoxy)phenyl]ammonium Formula: C27H32N3O4+ MolecularWeight: 462.56068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH2+]C3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH2+]C3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H31N3O4/c1-20(27(31)30-17-15-29(16-18-30)22-7-5-4-6-8-22)28-21-9-14-25(33-3)26(19-21)34-24-12-10-23(32-2)11-13-24/h4-14,19-20,28H,15-18H2,1-3H3/p+1/t20-/m1/s1