N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-[(1-ethyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H27N5O2S/c1-2-26-13-11-22-20(26)16-25-12-5-6-17(15-25)14-24-29(27,28)19-9-3-7-18-8-4-10-23-21(18)19/h3-4,7-11,13,17,24H,2,5-6,12,14-16H2,1H3/p+1/t17-/m1/s1