3-(4-ethylphenyl)sulfonyl-N-(phenylmethyl)quinolin-1-ium-4-amine

Systemtic Name: 3-(4-ethylphenyl)sulfonyl-N-(phenylmethyl)quinolin-1-ium-4-amine Openeye Name: N-benzyl-3-(4-ethylphenyl)sulfonyl-quinolin-1-ium-4-amine CAS Name: 3-(4-ethylphenyl)sulfonyl-N-(phenylmethyl)-4-quinolin-1-iumamine IUPAC Name: N-benzyl-3-(4-ethylphenyl)sulfonylquinolin-1-ium-4-amine Traditional Name: benzyl-[3-(4-ethylphenyl)sulfonylquinolin-1-ium-4-yl]amine Formula: C24H23N2O2S+ MolecularWeight: 403.51662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)NCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O2S/c1-2-18-12-14-20(15-13-18)29(27,28)23-17-25-22-11-7-6-10-21(22)24(23)26-16-19-8-4-3-5-9-19/h3-15,17H,2,16H2,1H3,(H,25,26)/p+1