2-methyl-7-[(R)-(5-methylthiophen-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(R)-(5-methylthiophen-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(R)-(5-methyl-2-thienyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(R)-(5-methyl-2-thiophenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(R)-(5-methylthiophen-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(R)-(5-methyl-2-thienyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C21H20N3OS+ MolecularWeight: 362.468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=C(S3)C)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)[C@H](C3=CC=C(S3)C)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C21H19N3OS/c1-13-6-8-15-9-10-16(21(25)19(15)23-13)20(17-11-7-14(2)26-17)24-18-5-3-4-12-22-18/h3-12,20,25H,1-2H3,(H,22,24)/p+1/t20-/m1/s1