N-(3-chloranyl-2-methyl-phenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCCC2C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCC[C@H]2C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H25ClN2O3/c1-14-17(22)6-4-7-18(14)23-21(25)13-24-11-5-8-19(24)16-12-15(26-2)9-10-20(16)27-3/h4,6-7,9-10,12,19H,5,8,11,13H2,1-3H3,(H,23,25)/p+1/t19-/m0/s1