2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]quinolin-1-ium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H23N3O2S/c1-16-7-8-17(2)20(15-16)27(25,26)24-13-11-23(12-14-24)21-10-9-18-5-3-4-6-19(18)22-21/h3-10,15H,11-14H2,1-2H3/p+1