2-methoxy-4-prop-2-enyl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2-methoxy-4-prop-2-enyl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-allyl-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-methoxy-4-prop-2-enyl-6-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-4-prop-2-enyl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-allyl-2-methoxy-6-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)C3=NC=CC=N3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)C3=NC=CC=N3)CC=C

InChI

InChI=1S/C19H24N4O2/c1-3-5-15-12-16(18(24)17(13-15)25-2)14-22-8-10-23(11-9-22)19-20-6-4-7-21-19/h3-4,6-7,12-13,24H,1,5,8-11,14H2,2H3/p+1