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

Systemtic Name: [(2R)-2-(3-methoxy-2-oxidanyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(2-hydroxy-3-methoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(2-hydroxy-3-methoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(2-hydroxy-3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(2-hydroxy-3-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=CC=CC(=C1O)C(C[NH3+])N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1O)[C@H](C[NH3+])N2CCN(CC2)C3=NC=CC=N3

InChI

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