N-[2-(4-bromophenyl)sulfanylethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C19H25BrN3OS+ MolecularWeight: 423.3903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC(=O)NCCSC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC(=O)NCCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H24BrN3OS/c1-22-11-2-4-17(22)18-5-3-12-23(18)14-19(24)21-10-13-25-16-8-6-15(20)7-9-16/h2,4,6-9,11,18H,3,5,10,12-14H2,1H3,(H,21,24)/p+1/t18-/m1/s1