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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

InChI

InChI=1S/C21H28N2O3/c1-17-7-9-19(10-8-17)26-16-18(24)15-22-11-13-23(14-12-22)20-5-3-4-6-21(20)25-2/h3-10,18,24H,11-16H2,1-2H3/p+1/t18-/m0/s1