(2S)-2-(4-bromanylphenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propionamide Formula: C23H30BrN2O3+ MolecularWeight: 462.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(C1=CC=C(C=C1)OC)[NH+]2CCCCC2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC[C@@H](C1=CC=C(C=C1)OC)[NH+]2CCCCC2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H29BrN2O3/c1-17(29-21-12-8-19(24)9-13-21)23(27)25-16-22(26-14-4-3-5-15-26)18-6-10-20(28-2)11-7-18/h6-13,17,22H,3-5,14-16H2,1-2H3,(H,25,27)/p+1/t17-,22-/m0/s1