1-methyl-4-morpholin-4-ylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-morpholin-4-ylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-4-morpholinosulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrole-2-carboxamide CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-morpholin-4-ylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-4-morpholinosulfonyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]pyrrole-2-carboxamide Formula: C23H33N4O4S+ MolecularWeight: 461.59752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H32N4O4S/c1-25-18-21(32(29,30)27-11-13-31-14-12-27)15-22(25)23(28)24-16-19-7-3-4-8-20(19)17-26-9-5-2-6-10-26/h3-4,7-8,15,18H,2,5-6,9-14,16-17H2,1H3,(H,24,28)/p+1