[(2R)-2-(4-methoxy-3-oxidanyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(4-methoxy-3-oxidanyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-hydroxy-4-methoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-hydroxy-4-methoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-hydroxy-4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-hydroxy-4-methoxy-phenyl)-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[NH3+])N2CCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C[NH3+])N2CCN(CC2)C3=NC=CC=N3)O

InChI

InChI=1S/C17H23N5O2/c1-24-16-4-3-13(11-15(16)23)14(12-18)21-7-9-22(10-8-21)17-19-5-2-6-20-17/h2-6,11,14,23H,7-10,12,18H2,1H3/p+1/t14-/m0/s1