cyclopropyl-[4-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-yl]methanone Openeye Name: cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazin-4-ium-1-yl]methanone CAS Name: cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-piperazin-4-iumyl]methanone IUPAC Name: cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-yl]methanone Traditional Name: cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazin-4-ium-1-yl]methanone Formula: C20H31N2O3+ MolecularWeight: 347.47174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C(=O)C3CC3)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH+]2CCN(CC2)C(=O)C3CC3)O

InChI

InChI=1S/C20H30N2O3/c1-15(2)18-5-3-4-6-19(18)25-14-17(23)13-21-9-11-22(12-10-21)20(24)16-7-8-16/h3-6,15-17,23H,7-14H2,1-2H3/p+1/t17-/m0/s1