(5-fluoranyl-3-methyl-2-pyridin-3-yl-indol-1-yl)carbamoyl-hexyl-methyl-oxidanyl-azanium

Systemtic Name: (5-fluoranyl-3-methyl-2-pyridin-3-yl-indol-1-yl)carbamoyl-hexyl-methyl-oxidanyl-azanium Openeye Name: [5-fluoro-3-methyl-2-(3-pyridyl)indol-1-yl]carbamoyl-hexyl-hydroxy-methyl-ammonium CAS Name: [[[5-fluoro-3-methyl-2-(3-pyridinyl)-1-indolyl]amino]-oxomethyl]-hexyl-hydroxy-methylammonium IUPAC Name: (5-fluoro-3-methyl-2-pyridin-3-ylindol-1-yl)carbamoyl-hexyl-hydroxy-methylazanium Traditional Name: [5-fluoro-3-methyl-2-(3-pyridyl)indol-1-yl]carbamoyl-hexyl-hydroxy-methyl-ammonium Formula: C22H28FN4O2+ MolecularWeight: 399.481723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(C(=O)NN1C2=C(C=C(C=C2)F)C(=C1C3=CN=CC=C3)C)O

Isomeric SMILES

CCCCCC[N+](C)(C(=O)NN1C2=C(C=C(C=C2)F)C(=C1C3=CN=CC=C3)C)O

InChI

InChI=1S/C22H27FN4O2/c1-4-5-6-7-13-27(3,29)22(28)25-26-20-11-10-18(23)14-19(20)16(2)21(26)17-9-8-12-24-15-17/h8-12,14-15,29H,4-7,13H2,1-3H3/p+1