(2S)-1-[2-(4-bromanylphenoxy)ethoxy]-3-(4-propan-2-ylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[2-(4-bromanylphenoxy)ethoxy]-3-(4-propan-2-ylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-isopropylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-propan-2-yl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-propan-2-ylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-isopropylpiperazin-4-ium-1-yl)propan-2-ol Formula: C18H30BrN2O3+ MolecularWeight: 402.3464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)CC(COCCOC2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C[C@@H](COCCOC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C18H29BrN2O3/c1-15(2)21-9-7-20(8-10-21)13-17(22)14-23-11-12-24-18-5-3-16(19)4-6-18/h3-6,15,17,22H,7-14H2,1-2H3/p+1/t17-/m0/s1