6-ethoxy-N-(phenylmethyl)-3-(phenylsulfonyl)quinolin-1-ium-4-amine

Systemtic Name: 6-ethoxy-N-(phenylmethyl)-3-(phenylsulfonyl)quinolin-1-ium-4-amine Openeye Name: 3-(benzenesulfonyl)-N-benzyl-6-ethoxy-quinolin-1-ium-4-amine CAS Name: 3-(benzenesulfonyl)-6-ethoxy-N-(phenylmethyl)-4-quinolin-1-iumamine IUPAC Name: 3-(benzenesulfonyl)-N-benzyl-6-ethoxyquinolin-1-ium-4-amine Traditional Name: benzyl-(3-besyl-6-ethoxy-quinolin-1-ium-4-yl)amine Formula: C24H23N2O3S+ MolecularWeight: 419.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S/c1-2-29-19-13-14-22-21(15-19)24(26-16-18-9-5-3-6-10-18)23(17-25-22)30(27,28)20-11-7-4-8-12-20/h3-15,17H,2,16H2,1H3,(H,25,26)/p+1