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

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C24H35N4O4S+ MolecularWeight: 475.6241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC2C3=CC=CN3C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@H]2C3=CC=CN3C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H34N4O4S/c1-3-32-22-12-11-19(17-23(22)33(30,31)28-15-5-4-6-16-28)25-24(29)18-27-14-8-10-21(27)20-9-7-13-26(20)2/h7,9,11-13,17,21H,3-6,8,10,14-16,18H2,1-2H3,(H,25,29)/p+1/t21-/m0/s1