2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-chlorobenzyl)sulfonyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C17H16ClN2O2S+ MolecularWeight: 347.83914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=[NH+]2)S(=O)(=O)CC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=[NH+]2)S(=O)(=O)CC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H15ClN2O2S/c18-15-7-5-12(6-8-15)11-23(21,22)17-14(10-19)9-13-3-1-2-4-16(13)20-17/h5-9H,1-4,11H2/p+1