N-[(3-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(3-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(3-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(3-chlorophenyl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(3-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (3-chlorobenzyl)-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C16H19ClN3O2S+ MolecularWeight: 352.85896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H18ClN3O2S/c17-14-5-3-4-13(10-14)11-18-16-7-6-15(12-19-16)23(21,22)20-8-1-2-9-20/h3-7,10,12H,1-2,8-9,11H2,(H,18,19)/p+1