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

Systemtic Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(R)-phenyl(2-thienyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(R)-phenyl(thiophen-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(R)-phenyl(2-thienyl)methyl]-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H22N3O2S2+ MolecularWeight: 400.53758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N[C@H](C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S2/c24-27(25,23-12-4-5-13-23)17-10-11-19(21-15-17)22-20(18-9-6-14-26-18)16-7-2-1-3-8-16/h1-3,6-11,14-15,20H,4-5,12-13H2,(H,21,22)/p+1/t20-/m1/s1