4-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(3-chloro-4-methyl-2-quinolinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C22H22ClN4O2S+ MolecularWeight: 441.95368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-16-19-4-2-3-5-20(19)25-21(22(16)23)15-26-10-12-27(13-11-26)30(28,29)18-8-6-17(14-24)7-9-18/h2-9H,10-13,15H2,1H3/p+1