2-methyl-7-[pyridin-1-ium-2-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol

Systemtic Name: 2-methyl-7-[pyridin-1-ium-2-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Openeye Name: 2-methyl-7-[pyridin-1-ium-2-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol CAS Name: 2-methyl-7-[2-pyridin-1-iumyl-(2-pyridin-1-iumylamino)methyl]-8-quinolin-1-iumol IUPAC Name: 2-methyl-7-[pyridin-1-ium-2-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Traditional Name: 2-methyl-7-[pyridin-1-ium-2-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Formula: C21H21N4O+3 MolecularWeight: 345.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C1)C=CC(=C2O)C(C3=CC=CC=[NH+]3)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=[NH+]C2=C(C=C1)C=CC(=C2O)C(C3=CC=CC=[NH+]3)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C21H18N4O/c1-14-8-9-15-10-11-16(21(26)19(15)24-14)20(17-6-2-4-12-22-17)25-18-7-3-5-13-23-18/h2-13,20,26H,1H3,(H,23,25)/p+3