4-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 4-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-morpholinosulfonyl-benzamide CAS Name: 4-ethyl-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-ethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-morpholinosulfonyl-benzamide Formula: C22H36N3O4S+ MolecularWeight: 438.60394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCC(CC2)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCC(CC2)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H35N3O4S/c1-3-19-5-6-20(17-21(19)30(27,28)25-13-15-29-16-14-25)22(26)23-9-4-10-24-11-7-18(2)8-12-24/h5-6,17-18H,3-4,7-16H2,1-2H3,(H,23,26)/p+1