(3-fluorophenyl)methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium

Systemtic Name: (3-fluorophenyl)methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium Openeye Name: (3-fluorophenyl)methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]ammonium CAS Name: (3-fluorophenyl)methyl-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]azanium Traditional Name: (3-fluorobenzyl)-[1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]ammonium Formula: C22H26FN4O2S+ MolecularWeight: 429.530843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH2+]CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH2+]CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H25FN4O2S/c1-15-20-7-6-19(30(2,28)29)13-21(20)26-22(25-15)27-10-8-18(9-11-27)24-14-16-4-3-5-17(23)12-16/h3-7,12-13,18,24H,8-11,14H2,1-2H3/p+1