N-[[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H29N3O2S/c25-27(26,20-12-4-8-18-9-5-13-22-21(18)20)23-15-17-7-6-14-24(16-17)19-10-2-1-3-11-19/h4-5,8-9,12-13,17,19,23H,1-3,6-7,10-11,14-16H2/p+1/t17-/m1/s1