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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(3-methoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Formula: C20H26ClN2O3+ MolecularWeight: 377.88504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O3/c1-25-19-6-3-7-20(13-19)26-15-18(24)14-22-8-10-23(11-9-22)17-5-2-4-16(21)12-17/h2-7,12-13,18,24H,8-11,14-15H2,1H3/p+1/t18-/m0/s1