1-[2-[3-(1-azanylquinolin-1-ium-2-yl)propyl]phenyl]-2-phenyl-ethane-1,2-dione; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 1-[2-[3-(1-azanylquinolin-1-ium-2-yl)propyl]phenyl]-2-phenyl-ethane-1,2-dione; 2,4,6-trimethylbenzenesulfonate Openeye Name: 1-[2-[3-(1-aminoquinolin-1-ium-2-yl)propyl]phenyl]-2-phenyl-ethane-1,2-dione; 2,4,6-trimethylbenzenesulfonate CAS Name: 1-[2-[3-(1-amino-2-quinolin-1-iumyl)propyl]phenyl]-2-phenylethane-1,2-dione; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 1-[2-[3-(1-aminoquinolin-1-ium-2-yl)propyl]phenyl]-2-phenylethane-1,2-dione; 2,4,6-trimethylbenzenesulfonate Traditional Name: 1-[2-[3-(1-aminoquinolin-1-ium-2-yl)propyl]phenyl]-2-phenyl-ethane-1,2-dione; 2,4,6-trimethylbesylate Formula: C35H34N2O5S MolecularWeight: 594.71986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2CCCC3=[N+](C4=CC=CC=C4C=C3)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2CCCC3=[N+](C4=CC=CC=C4C=C3)N

InChI

InChI=1S/C26H23N2O2.C9H12O3S/c27-28-22(18-17-20-10-5-7-16-24(20)28)14-8-13-19-9-4-6-15-23(19)26(30)25(29)21-11-2-1-3-12-21;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-7,9-12,15-18H,8,13-14,27H2;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1