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

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol Openeye Name: 4-isopropyl-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-phenol CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-propan-2-ylphenol IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-ylphenol Traditional Name: 4-isopropyl-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-phenol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

InChI

InChI=1S/C22H30N2O2/c1-16(2)19-14-18(21(25)13-17(19)3)15-23-9-11-24(12-10-23)20-7-5-6-8-22(20)26-4/h5-8,13-14,16,25H,9-12,15H2,1-4H3/p+1