N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC2C3=CC=CN3C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@H]2C3=CC=CN3C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H30N4O4S/c1-17-7-8-18(15-21(17)31(28,29)26-11-13-30-14-12-26)23-22(27)16-25-10-4-6-20(25)19-5-3-9-24(19)2/h3,5,7-9,15,20H,4,6,10-14,16H2,1-2H3,(H,23,27)/p+1/t20-/m0/s1