1-methyl-4-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-3-naphthalen-2-ylsulfonyl-propyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-3-naphthalen-2-ylsulfonyl-propyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-3-(2-naphthylsulfonyl)propyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[(2S)-2-(4-methyl-1-piperazine-1,4-diiumyl)-3-(2-naphthalenylsulfonyl)propyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-3-naphthalen-2-ylsulfonylpropyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-3-(2-naphthylsulfonyl)propyl]piperazine-1,4-diium Formula: C23H38N4O2S+4 MolecularWeight: 434.63842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(CS(=O)(=O)C2=CC3=CC=CC=C3C=C2)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C[C@@H](CS(=O)(=O)C2=CC3=CC=CC=C3C=C2)[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C23H34N4O2S/c1-24-9-13-26(14-10-24)18-22(27-15-11-25(2)12-16-27)19-30(28,29)23-8-7-20-5-3-4-6-21(20)17-23/h3-8,17,22H,9-16,18-19H2,1-2H3/p+4/t22-/m0/s1