2-methyl-7-[(S)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(S)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(S)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(S)-(3-nitrophenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(S)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(S)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C22H19N4O3+ MolecularWeight: 387.41126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c1-14-8-9-15-10-11-18(22(27)21(15)24-14)20(25-19-7-2-3-12-23-19)16-5-4-6-17(13-16)26(28)29/h2-13,20,27H,1H3,(H,23,25)/p+1/t20-/m0/s1