2-methyl-6-[[4-[(3-methyl-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methyl-6-[[4-[(3-methyl-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-[(2-hydroxy-3-methyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methyl-phenol CAS Name: 2-[[4-[(2-hydroxy-3-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-methylphenol IUPAC Name: 2-[[4-[(2-hydroxy-3-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methylphenol Traditional Name: 2-[[4-(2-hydroxy-3-methyl-benzyl)piperazin-1-ium-1-yl]methyl]-6-methyl-phenol Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C[NH+]2CCN(CC2)CC3=CC=CC(=C3O)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C[NH+]2CCN(CC2)CC3=CC=CC(=C3O)C)O

InChI

InChI=1S/C20H26N2O2/c1-15-5-3-7-17(19(15)23)13-21-9-11-22(12-10-21)14-18-8-4-6-16(2)20(18)24/h3-8,23-24H,9-14H2,1-2H3/p+1