4-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazolin-3-ium-2-yl]methyl]morpholine

Systemtic Name: 4-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazolin-3-ium-2-yl]methyl]morpholine Openeye Name: 4-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazolin-3-ium-2-yl]methyl]morpholine CAS Name: 4-[[4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-quinazolin-3-iumyl]methyl]morpholine IUPAC Name: 4-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazolin-3-ium-2-yl]methyl]morpholine Traditional Name: 4-[[4-(4-pyridin-1-ium-2-ylpiperazino)quinazolin-3-ium-2-yl]methyl]morpholine Formula: C22H28N6O+2 MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=[NH+]C(=NC4=CC=CC=C43)CN5CCOCC5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=[NH+]C(=NC4=CC=CC=C43)CN5CCOCC5

InChI

InChI=1S/C22H26N6O/c1-2-6-19-18(5-1)22(25-20(24-19)17-26-13-15-29-16-14-26)28-11-9-27(10-12-28)21-7-3-4-8-23-21/h1-8H,9-17H2/p+2