2-pyridin-1-ium-1-yl-N-[4-[4-(2-pyridin-1-ium-1-ylethanoylamino)butylsulfonyl]butyl]ethanamide

Systemtic Name: 2-pyridin-1-ium-1-yl-N-[4-[4-(2-pyridin-1-ium-1-ylethanoylamino)butylsulfonyl]butyl]ethanamide Openeye Name: 2-pyridin-1-ium-1-yl-N-[4-[4-[(2-pyridin-1-ium-1-ylacetyl)amino]butylsulfonyl]butyl]acetamide CAS Name: N-[4-[4-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]butylsulfonyl]butyl]-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: 2-pyridin-1-ium-1-yl-N-[4-[4-[(2-pyridin-1-ium-1-ylacetyl)amino]butylsulfonyl]butyl]acetamide Traditional Name: 2-pyridin-1-ium-1-yl-N-[4-[4-[(2-pyridin-1-ium-1-ylacetyl)amino]butylsulfonyl]butyl]acetamide Formula: C22H32N4O4S+2 MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)NCCCCS(=O)(=O)CCCCNC(=O)C[N+]2=CC=CC=C2

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)NCCCCS(=O)(=O)CCCCNC(=O)C[N+]2=CC=CC=C2

InChI

InChI=1S/C22H30N4O4S/c27-21(19-25-13-5-1-6-14-25)23-11-3-9-17-31(29,30)18-10-4-12-24-22(28)20-26-15-7-2-8-16-26/h1-2,5-8,13-16H,3-4,9-12,17-20H2/p+2