1-phenyl-N-[[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide

Systemtic Name: 1-phenyl-N-[[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Openeye Name: 1-phenyl-N-[[(3S)-1-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide CAS Name: 1-phenyl-N-[[(3S)-1-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-3-piperidin-1-iumyl]methyl]methanesulfonamide IUPAC Name: 1-phenyl-N-[[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Traditional Name: 1-phenyl-N-[[(3S)-1-[(2-pyrrolidinothiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Formula: C21H31N4O2S2+ MolecularWeight: 435.62644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(S2)C[NH+]3CCCC(C3)CNS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC=C(S2)C[NH+]3CCC[C@@H](C3)CNS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H30N4O2S2/c26-29(27,17-18-7-2-1-3-8-18)23-13-19-9-6-10-24(15-19)16-20-14-22-21(28-20)25-11-4-5-12-25/h1-3,7-8,14,19,23H,4-6,9-13,15-17H2/p+1/t19-/m1/s1