N-[(R)-phenyl(thiophen-2-yl)methyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(R)-phenyl(2-thienyl)methyl]-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(R)-phenyl(2-thienyl)methyl]-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C21H24N3O2S2+ MolecularWeight: 414.56416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N[C@H](C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H23N3O2S2/c25-28(26,24-13-5-2-6-14-24)18-11-12-20(22-16-18)23-21(19-10-7-15-27-19)17-8-3-1-4-9-17/h1,3-4,7-12,15-16,21H,2,5-6,13-14H2,(H,22,23)/p+1/t21-/m1/s1