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

Systemtic Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium CAS Name: 2-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 2-[4-(4-propylphenyl)sulfonylpiperazino]quinolin-1-ium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H25N3O2S/c1-2-5-18-8-11-20(12-9-18)28(26,27)25-16-14-24(15-17-25)22-13-10-19-6-3-4-7-21(19)23-22/h3-4,6-13H,2,5,14-17H2,1H3/p+1