4-(azepan-1-yl)-6-ethoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 4-(azepan-1-yl)-6-ethoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-(azepan-1-yl)-6-ethoxy-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-(1-azepanyl)-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-(azepan-1-yl)-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-(azepan-1-yl)-6-ethoxy-3-tosyl-quinolin-1-ium Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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=C(C=C3)C)N4CCCCCC4

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCCCC4

InChI

InChI=1S/C24H28N2O3S/c1-3-29-19-10-13-22-21(16-19)24(26-14-6-4-5-7-15-26)23(17-25-22)30(27,28)20-11-8-18(2)9-12-20/h8-13,16-17H,3-7,14-15H2,1-2H3/p+1