phenyl-[(3S)-1-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: phenyl-[(3S)-1-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]methyl]piperidin-1-ium-3-yl]methanone Openeye Name: phenyl-[(3S)-1-[[4-(2-thienylmethylamino)quinazolin-2-yl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: phenyl-[(3S)-1-[[4-(thiophen-2-ylmethylamino)-2-quinazolinyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: phenyl-[(3S)-1-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]methyl]piperidin-1-ium-3-yl]methanone Traditional Name: phenyl-[(3S)-1-[[4-(2-thenylamino)quinazolin-2-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4OS/c31-25(19-8-2-1-3-9-19)20-10-6-14-30(17-20)18-24-28-23-13-5-4-12-22(23)26(29-24)27-16-21-11-7-15-32-21/h1-5,7-9,11-13,15,20H,6,10,14,16-18H2,(H,27,28,29)/p+1/t20-/m0/s1