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

Systemtic Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

InChI

InChI=1S/C21H28N2O4/c1-25-18-6-5-7-19(14-18)27-16-17(24)15-22-10-12-23(13-11-22)20-8-3-4-9-21(20)26-2/h3-9,14,17,24H,10-13,15-16H2,1-2H3/p+1/t17-/m0/s1