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

Systemtic Name: 7-[phenyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Openeye Name: 7-[phenyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol CAS Name: 7-[phenyl-(2-pyridin-1-iumylamino)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[phenyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Traditional Name: 7-[phenyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Formula: C21H19N3O+2 MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O/c25-21-17(12-11-16-9-6-14-23-20(16)21)19(15-7-2-1-3-8-15)24-18-10-4-5-13-22-18/h1-14,19,25H,(H,22,24)/p+2