2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazino]quinolin-1-ium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-23(2,3)19-9-11-20(12-10-19)29(27,28)26-16-14-25(15-17-26)22-13-8-18-6-4-5-7-21(18)24-22/h4-13H,14-17H2,1-3H3/p+1