N-[[(2R)-oxolan-2-yl]methyl]-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-pyridin-1-ium-2-amine Openeye Name: 5-[(4-benzyl-1-piperidyl)sulfonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-2-amine CAS Name: N-[[(2R)-2-oxolanyl]methyl]-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-pyridin-1-iumamine IUPAC Name: 5-(4-benzylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-2-amine Traditional Name: [5-(4-benzylpiperidino)sulfonylpyridin-1-ium-2-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S/c26-29(27,21-8-9-22(24-17-21)23-16-20-7-4-14-28-20)25-12-10-19(11-13-25)15-18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19-20H,4,7,10-16H2,(H,23,24)/p+1/t20-/m1/s1