[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC[NH2+]C2CCCN(C2)C3=NC=CC=N3)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C[NH2+][C@H]2CCCN(C2)C3=NC=CC=N3)O

InChI

InChI=1S/C19H24N4O2/c1-25-18-13-15(7-8-17(18)24)5-2-9-20-16-6-3-12-23(14-16)19-21-10-4-11-22-19/h2,4-5,7-8,10-11,13,16,20,24H,3,6,9,12,14H2,1H3/p+1/b5-2+/t16-/m0/s1