4,5-dimethyl-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4,5-dimethyl-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4,5-dimethyl-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4,5-dimethyl-2-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4,5-dimethyl-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4,5-dimethyl-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O/c1-15-5-4-6-19(11-15)22-9-7-21(8-10-22)14-18-12-16(2)17(3)13-20(18)23/h4-6,11-13,23H,7-10,14H2,1-3H3/p+1