6-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]sesamol Formula: C19H22ClN2O3+ MolecularWeight: 361.84258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C19H21ClN2O3/c1-13-2-3-15(20)9-16(13)22-6-4-21(5-7-22)11-14-8-18-19(10-17(14)23)25-12-24-18/h2-3,8-10,23H,4-7,11-12H2,1H3/p+1