N-[2-(1H-indol-3-yl)ethyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[2-(1H-indol-3-yl)ethyl]-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 2-(1H-indol-3-yl)ethyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H24N4O2S/c25-27(26,24-12-4-1-5-13-24)17-8-9-20(23-15-17)21-11-10-16-14-22-19-7-3-2-6-18(16)19/h2-3,6-9,14-15,22H,1,4-5,10-13H2,(H,21,23)/p+1