2-methyl-7-[(S)-(4-propan-2-ylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(S)-(4-propan-2-ylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(S)-(4-isopropylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 2-methyl-7-[(S)-(4-propan-2-ylphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(S)-(4-propan-2-ylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(S)-p-cumenyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C25H26N3O+ MolecularWeight: 384.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=C(C=C3)C(C)C)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)[C@H](C3=CC=C(C=C3)C(C)C)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C25H25N3O/c1-16(2)18-9-11-19(12-10-18)23(28-22-6-4-5-15-26-22)21-14-13-20-8-7-17(3)27-24(20)25(21)29/h4-16,23,29H,1-3H3,(H,26,28)/p+1/t23-/m0/s1