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

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C18H23BrN3O+ MolecularWeight: 377.29872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC2C3=CC=CN3C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CN3C)Br

InChI

InChI=1S/C18H22BrN3O/c1-13-7-8-14(11-15(13)19)20-18(23)12-22-10-4-6-17(22)16-5-3-9-21(16)2/h3,5,7-9,11,17H,4,6,10,12H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1