4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C18H23N2O+ MolecularWeight: 283.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C18H22N2O/c1-15-4-2-3-5-18(15)20-12-10-19(11-13-20)14-16-6-8-17(21)9-7-16/h2-9,21H,10-14H2,1H3/p+1