N'-naphthalen-1-yl-N-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)ethane-1,2-diamine

Systemtic Name: N'-naphthalen-1-yl-N-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)ethane-1,2-diamine Openeye Name: N'-(1-naphthyl)-N-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)ethane-1,2-diamine CAS Name: N'-(1-naphthalenyl)-N-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]ethane-1,2-diamine IUPAC Name: N'-naphthalen-1-yl-N-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)ethane-1,2-diamine Traditional Name: 1-naphthyl-[2-[(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]ethyl]amine Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCNC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCNC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O2S/c26-28(27,25-14-3-4-15-25)18-10-11-21(24-16-18)23-13-12-22-20-9-5-7-17-6-1-2-8-19(17)20/h1-2,5-11,16,22H,3-4,12-15H2,(H,23,24)/p+1