N-phenethyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-phenethyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-phenethyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-phenethyl-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-phenethyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: phenethyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S/c21-23(22,20-12-4-5-13-20)16-8-9-17(19-14-16)18-11-10-15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,18,19)/p+1