2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol Openeye Name: 4-allyl-2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-4-prop-2-enylphenol IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol Traditional Name: 4-allyl-2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=C(C(=CC(=C3)CC=C)OC)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=C(C(=CC(=C3)CC=C)OC)O

InChI

InChI=1S/C22H27ClN2O2/c1-4-5-17-12-18(22(26)21(13-17)27-3)15-24-8-10-25(11-9-24)20-14-19(23)7-6-16(20)2/h4,6-7,12-14,26H,1,5,8-11,15H2,2-3H3/p+1