2-(cyclohexen-1-yl)ethyl-[(2-oxidanyl-5-pyrimidin-5-yl-phenyl)methyl]azanium

Systemtic Name: 2-(cyclohexen-1-yl)ethyl-[(2-oxidanyl-5-pyrimidin-5-yl-phenyl)methyl]azanium Openeye Name: 2-(cyclohexen-1-yl)ethyl-[(2-hydroxy-5-pyrimidin-5-yl-phenyl)methyl]ammonium CAS Name: 2-(1-cyclohexenyl)ethyl-[[2-hydroxy-5-(5-pyrimidinyl)phenyl]methyl]ammonium IUPAC Name: 2-(cyclohexen-1-yl)ethyl-[(2-hydroxy-5-pyrimidin-5-ylphenyl)methyl]azanium Traditional Name: 2-(cyclohexen-1-yl)ethyl-[2-hydroxy-5-(5-pyrimidyl)benzyl]ammonium Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC[NH2+]CC2=C(C=CC(=C2)C3=CN=CN=C3)O

Isomeric SMILES

C1CCC(=CC1)CC[NH2+]CC2=C(C=CC(=C2)C3=CN=CN=C3)O

InChI

InChI=1S/C19H23N3O/c23-19-7-6-16(18-12-21-14-22-13-18)10-17(19)11-20-9-8-15-4-2-1-3-5-15/h4,6-7,10,12-14,20,23H,1-3,5,8-9,11H2/p+1