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

Systemtic Name: 2-methoxy-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-phenol Openeye Name: 4-allyl-2-methoxy-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-methoxy-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-prop-2-enylphenol IUPAC Name: 2-methoxy-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enylphenol Traditional Name: 4-allyl-2-methoxy-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-3-7-17-14-18(21(24)20(15-17)25-2)16-22-10-12-23(13-11-22)19-8-5-4-6-9-19/h3-6,8-9,14-15,24H,1,7,10-13,16H2,2H3/p+1