N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-methylphenoxy)acetamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

InChI

InChI=1S/C23H31N3O2/c1-18-7-6-8-21(15-18)28-17-23(27)24-16-22(26-13-4-5-14-26)19-9-11-20(12-10-19)25(2)3/h6-12,15,22H,4-5,13-14,16-17H2,1-3H3,(H,24,27)/p+1/t22-/m1/s1