4-methyl-3-morpholin-4-ylsulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-methyl-3-morpholin-4-ylsulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-3-morpholinosulfonyl-benzamide CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-3-morpholinosulfonyl-benzamide Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H31N3O4S/c1-19-7-8-21(17-23(19)32(29,30)27-13-15-31-16-14-27)24(28)25-22-9-11-26(12-10-22)18-20-5-3-2-4-6-20/h2-8,17,22H,9-16,18H2,1H3,(H,25,28)/p+1