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

Systemtic Name: 5-methyl-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-propan-2-yl-phenol Openeye Name: 4-isopropyl-5-methyl-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 5-methyl-2-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-propan-2-ylphenol IUPAC Name: 5-methyl-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-propan-2-ylphenol Traditional Name: 4-isopropyl-5-methyl-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C22H31N2O+ MolecularWeight: 339.49434

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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)C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O/c1-16(2)21-14-19(22(25)13-18(21)4)15-23-8-10-24(11-9-23)20-7-5-6-17(3)12-20/h5-7,12-14,16,25H,8-11,15H2,1-4H3/p+1