N-(3-chloranyl-4-cyano-phenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C18H20ClN4O+ MolecularWeight: 343.8306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H19ClN4O/c1-22-8-2-4-16(22)17-5-3-9-23(17)12-18(24)21-14-7-6-13(11-20)15(19)10-14/h2,4,6-8,10,17H,3,5,9,12H2,1H3,(H,21,24)/p+1/t17-/m1/s1