4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butyramide Formula: C23H31FN3O3S+ MolecularWeight: 448.573943

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H30FN3O3S/c1-26(31(29,30)22-11-9-20(24)10-12-22)15-5-8-23(28)25-21-13-16-27(17-14-21)18-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-18H2,1H3,(H,25,28)/p+1