(2R)-2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: (2R)-2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: (2R)-2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-morpholino-propan-1-one CAS Name: (2R)-2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: (2R)-2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: (2R)-2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-morpholino-propan-1-one Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C[C@H](C(=O)N1CCOCC1)[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H28N6O2/c1-15(20(27)26-10-12-28-13-11-26)25-8-6-24(7-9-25)14-18-22-17-5-3-2-4-16(17)19(21)23-18/h2-5,15H,6-14H2,1H3,(H2,21,22,23)/p+1/t15-/m1/s1