[(2S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)pyrrolidin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(2S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)pyrrolidin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [(2S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)pyrrolidin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [(2S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-2-pyrrolidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [(2S)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [(2S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)pyrrolidin-2-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H26FN6O+ MolecularWeight: 421.490543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC3C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@H]3C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H25FN6O/c1-16-18-15-17(24)7-8-19(18)27-23(26-16)30-10-4-5-20(30)22(31)29-13-11-28(12-14-29)21-6-2-3-9-25-21/h2-3,6-9,15,20H,4-5,10-14H2,1H3/p+1/t20-/m0/s1