2-[4-(propan-2-ylamino)quinazoline-1,3-diium-2-yl]phenol

Systemtic Name: 2-[4-(propan-2-ylamino)quinazoline-1,3-diium-2-yl]phenol Openeye Name: 2-[4-(isopropylamino)quinazoline-1,3-diium-2-yl]phenol CAS Name: 2-[4-(propan-2-ylamino)-2-quinazoline-1,3-diiumyl]phenol IUPAC Name: 2-[4-(propan-2-ylamino)quinazoline-1,3-diium-2-yl]phenol Traditional Name: 2-[4-(isopropylamino)quinazoline-1,3-diium-2-yl]phenol Formula: C17H19N3O+2 MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=[NH+]C(=[NH+]C2=CC=CC=C21)C3=CC=CC=C3O

Isomeric SMILES

CC(C)NC1=[NH+]C(=[NH+]C2=CC=CC=C21)C3=CC=CC=C3O

InChI

InChI=1S/C17H17N3O/c1-11(2)18-16-12-7-3-5-9-14(12)19-17(20-16)13-8-4-6-10-15(13)21/h3-11,21H,1-2H3,(H,18,19,20)/p+2