2-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol

Systemtic Name: 2-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol Openeye Name: 4-allyl-2-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-methoxy-4-prop-2-enylphenol IUPAC Name: 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol Traditional Name: 4-allyl-2-[[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C23H30FN2O3+ MolecularWeight: 401.494303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=C(C(=CC(=C3)CC=C)OC)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=C(C(=CC(=C3)CC=C)OC)O)F

InChI

InChI=1S/C23H29FN2O3/c1-4-5-17-12-19(23(27)22(14-17)29-3)16-26-10-8-25(9-11-26)15-18-6-7-21(28-2)20(24)13-18/h4,6-7,12-14,27H,1,5,8-11,15-16H2,2-3H3/p+1