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

Systemtic Name: N-(phenylmethyl)-3-(phenylsulfonyl)quinolin-1-ium-4-amine Openeye Name: 3-(benzenesulfonyl)-N-benzyl-quinolin-1-ium-4-amine CAS Name: 3-(benzenesulfonyl)-N-(phenylmethyl)-4-quinolin-1-iumamine IUPAC Name: 3-(benzenesulfonyl)-N-benzylquinolin-1-ium-4-amine Traditional Name: benzyl-(3-besylquinolin-1-ium-4-yl)amine Formula: C22H19N2O2S+ MolecularWeight: 375.46346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S/c25-27(26,18-11-5-2-6-12-18)21-16-23-20-14-8-7-13-19(20)22(21)24-15-17-9-3-1-4-10-17/h1-14,16H,15H2,(H,23,24)/p+1