N-[(R)-phenyl(pyridin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(R)-phenyl(pyridin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(R)-phenyl(4-pyridyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(R)-phenyl(pyridin-4-yl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(R)-phenyl(pyridin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(R)-phenyl(4-pyridyl)methyl]-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c26-28(27,25-14-4-5-15-25)19-8-9-20(23-16-19)24-21(17-6-2-1-3-7-17)18-10-12-22-13-11-18/h1-3,6-13,16,21H,4-5,14-15H2,(H,23,24)/p+1/t21-/m1/s1