5-[(S)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-7-prop-2-enyl-quinolin-8-ol

Systemtic Name: 5-[(S)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-7-prop-2-enyl-quinolin-8-ol Openeye Name: 7-allyl-5-[(S)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 5-[(S)-(4-chlorophenyl)-(2-pyridin-1-iumylamino)methyl]-2-methyl-7-prop-2-enyl-8-quinolinol IUPAC Name: 5-[(S)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-7-prop-2-enylquinolin-8-ol Traditional Name: 7-allyl-5-[(S)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C25H23ClN3O+ MolecularWeight: 416.92262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O/c1-3-6-18-15-21(20-13-8-16(2)28-24(20)25(18)30)23(17-9-11-19(26)12-10-17)29-22-7-4-5-14-27-22/h3-5,7-15,23,30H,1,6H2,2H3,(H,27,29)/p+1/t23-/m0/s1