4-[(5-aminocarbonyl-2-fluoranyl-phenyl)-[1-(furan-2-ylmethyl)piperidin-1-ium-1-yl]amino]-2,3-di(propan-2-yl)benzamide

Systemtic Name: 4-[(5-aminocarbonyl-2-fluoranyl-phenyl)-[1-(furan-2-ylmethyl)piperidin-1-ium-1-yl]amino]-2,3-di(propan-2-yl)benzamide Openeye Name: 4-(5-carbamoyl-2-fluoro-N-[1-(2-furylmethyl)piperidin-1-ium-1-yl]anilino)-2,3-diisopropyl-benzamide CAS Name: 4-(5-carbamoyl-2-fluoro-N-[1-(2-furanylmethyl)-1-piperidin-1-iumyl]anilino)-2,3-di(propan-2-yl)benzamide IUPAC Name: 4-(5-carbamoyl-2-fluoro-N-[1-(furan-2-ylmethyl)piperidin-1-ium-1-yl]anilino)-2,3-di(propan-2-yl)benzamide Traditional Name: 4-(5-carbamoyl-2-fluoro-N-[1-(2-furfuryl)piperidin-1-ium-1-yl]anilino)-2,3-diisopropyl-benzamide Formula: C30H38FN4O3+ MolecularWeight: 521.646123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1C(C)C)N(C2=C(C=CC(=C2)C(=O)N)F)[N+]3(CCCCC3)CC4=CC=CO4)C(=O)N

Isomeric SMILES

CC(C)C1=C(C=CC(=C1C(C)C)N(C2=C(C=CC(=C2)C(=O)N)F)[N+]3(CCCCC3)CC4=CC=CO4)C(=O)N

InChI

InChI=1S/C30H37FN4O3/c1-19(2)27-23(30(33)37)11-13-25(28(27)20(3)4)34(26-17-21(29(32)36)10-12-24(26)31)35(14-6-5-7-15-35)18-22-9-8-16-38-22/h8-13,16-17,19-20H,5-7,14-15,18H2,1-4H3,(H3-,32,33,36,37)/p+1