2-(4-chloranyl-3-methyl-phenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2/c1-16-13-18(9-10-19(16)22)26-15-21(25)23-14-20(24-11-5-6-12-24)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3,(H,23,25)/p+1/t20-/m1/s1