N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine CAS Name: N-[2-(1H-indol-3-yl)ethyl]-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumamine IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: 2-(1H-indol-3-yl)ethyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amine Formula: C20H27N5O2S+2 MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H25N5O2S/c1-24-10-12-25(13-11-24)28(26,27)17-6-7-20(23-15-17)21-9-8-16-14-22-19-5-3-2-4-18(16)19/h2-7,14-15,22H,8-13H2,1H3,(H,21,23)/p+2