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

Systemtic Name: N-[[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-benzylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-benzylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-benzylpiperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-28(27,21-12-4-10-20-11-5-13-23-22(20)21)24-15-19-9-6-14-25(17-19)16-18-7-2-1-3-8-18/h1-5,7-8,10-13,19,24H,6,9,14-17H2/p+1/t19-/m1/s1