7-[(2,5-dimethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[(2,5-dimethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Openeye Name: 7-[(2,5-dimethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol CAS Name: 7-[(2,5-dimethylphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[(2,5-dimethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Traditional Name: 7-[(2,5-dimethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Formula: C23H23N3O+2 MolecularWeight: 357.44822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O/c1-15-8-9-16(2)19(14-15)22(26-20-7-3-4-12-24-20)18-11-10-17-6-5-13-25-21(17)23(18)27/h3-14,22,27H,1-2H3,(H,24,26)/p+2