(2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-3-(3-methyl-4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O)C(C)C

InChI

InChI=1S/C24H34N2O3/c1-18(2)24-10-9-23(15-19(24)3)29-17-21(27)16-25-11-13-26(14-12-25)20-5-7-22(28-4)8-6-20/h5-10,15,18,21,27H,11-14,16-17H2,1-4H3/p+1/t21-/m0/s1