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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-isopropyl-5-methyl-phenol CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-propan-2-ylphenol IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-ylphenol Traditional Name: 4-isopropyl-5-methyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]phenol Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=C(C(=C3)C(C)C)C)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=C(C(=C3)C(C)C)C)O

InChI

InChI=1S/C23H32N2O2/c1-5-27-23-9-7-6-8-21(23)25-12-10-24(11-13-25)16-19-15-20(17(2)3)18(4)14-22(19)26/h6-9,14-15,17,26H,5,10-13,16H2,1-4H3/p+1