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

Systemtic Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-3-(2-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C21H28N2O3/c1-17-5-3-4-6-21(17)26-16-19(24)15-22-11-13-23(14-12-22)18-7-9-20(25-2)10-8-18/h3-10,19,24H,11-16H2,1-2H3/p+1/t19-/m0/s1