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

Systemtic Name: 2-methoxy-4-prop-2-enyl-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-allyl-2-methoxy-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-methoxy-4-prop-2-enyl-6-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-4-prop-2-enyl-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-allyl-2-methoxy-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Formula: C20H27N3O2+2 MolecularWeight: 341.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)CC=C

InChI

InChI=1S/C20H25N3O2/c1-3-6-16-13-17(20(24)18(14-16)25-2)15-22-9-11-23(12-10-22)19-7-4-5-8-21-19/h3-5,7-8,13-14,24H,1,6,9-12,15H2,2H3/p+2