2-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine

Systemtic Name: 2-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine Openeye Name: 2-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-N-(2-thienylmethyl)quinazolin-4-amine CAS Name: 2-[[(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-N-(thiophen-2-ylmethyl)-4-quinazolinamine IUPAC Name: 2-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine Traditional Name: [2-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]quinazolin-4-yl]-(2-thenyl)amine Formula: C26H26N5OS+ MolecularWeight: 456.58254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C26H25N5OS/c1-2-10-21-20(9-1)25(27-15-19-8-6-14-33-19)30-24(28-21)17-31-13-5-7-18(16-31)26-29-22-11-3-4-12-23(22)32-26/h1-4,6,8-12,14,18H,5,7,13,15-17H2,(H,27,28,30)/p+1/t18-/m0/s1