4-ethyl-3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-ethyl-3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-ethyl-3-morpholinosulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-ethyl-3-(4-morpholinylsulfonyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-ethyl-3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-ethyl-3-morpholinosulfonyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C26H35N3O4S/c1-2-23-10-11-24(18-25(23)34(31,32)29-14-16-33-17-15-29)26(30)27-19-21-6-8-22(9-7-21)20-28-12-4-3-5-13-28/h6-11,18H,2-5,12-17,19-20H2,1H3,(H,27,30)/p+1