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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol Openeye Name: 4-allyl-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-4-prop-2-enylphenol IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol Traditional Name: 4-allyl-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2/c1-3-5-16-12-17(21(25)20(13-16)26-2)15-23-8-10-24(11-9-23)19-7-4-6-18(22)14-19/h3-4,6-7,12-14,25H,1,5,8-11,15H2,2H3/p+1