(2S)-2-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: (2S)-2-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-(4-phenoxyphenyl)propanamide Openeye Name: (2S)-2-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-(4-phenoxyphenyl)propanamide CAS Name: (2S)-2-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2S)-2-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-(4-phenoxyphenyl)propanamide Traditional Name: (2S)-2-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-(4-phenoxyphenyl)propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN[C@@H](C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-3-25-15-7-8-19(25)16-23-17(2)22(26)24-18-11-13-21(14-12-18)27-20-9-5-4-6-10-20/h4-6,9-14,17,19,23H,3,7-8,15-16H2,1-2H3,(H,24,26)/p+1/t17-,19+/m0/s1