2-[4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]piperidin-1-yl]-6-fluoranyl-4-methyl-quinazoline

Systemtic Name: 2-[4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]piperidin-1-yl]-6-fluoranyl-4-methyl-quinazoline Openeye Name: 2-[4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-piperidyl]-6-fluoro-4-methyl-quinazoline CAS Name: 2-[4-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-piperidinyl]-6-fluoro-4-methylquinazoline IUPAC Name: 2-[4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline Traditional Name: 2-[4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]piperidino]-6-fluoro-4-methyl-quinazoline Formula: C26H30FN6+ MolecularWeight: 445.555003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC(CC3)[NH+]4CCCC(C4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC(CC3)[NH+]4CCC[C@@H](C4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C26H29FN6/c1-17-21-15-19(27)8-9-22(21)31-26(28-17)32-13-10-20(11-14-32)33-12-4-5-18(16-33)25-29-23-6-2-3-7-24(23)30-25/h2-3,6-9,15,18,20H,4-5,10-14,16H2,1H3,(H,29,30)/p+1/t18-/m0/s1