3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinoline-8-sulfonamide

Systemtic Name: 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinoline-8-sulfonamide Openeye Name: 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinoline-8-sulfonamide CAS Name: 3-methyl-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-8-quinolinesulfonamide IUPAC Name: 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinoline-8-sulfonamide Traditional Name: 3-methyl-N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]quinoline-8-sulfonamide Formula: C21H27N6O2S+ MolecularWeight: 427.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6O2S/c1-17-15-18-5-2-6-19(20(18)24-16-17)30(28,29)25-9-4-10-26-11-13-27(14-12-26)21-22-7-3-8-23-21/h2-3,5-8,15-16,25H,4,9-14H2,1H3/p+1