3-pyridin-1-ium-1-yl-N-[6-(3-pyridin-1-ium-1-ylpropanoylamino)hexyl]propanamide dichloride

Systemtic Name: 3-pyridin-1-ium-1-yl-N-[6-(3-pyridin-1-ium-1-ylpropanoylamino)hexyl]propanamide dichloride Openeye Name: 3-pyridin-1-ium-1-yl-N-[6-(3-pyridin-1-ium-1-ylpropanoylamino)hexyl]propanamide dichloride CAS Name: N-[6-[[1-oxo-3-(1-pyridin-1-iumyl)propyl]amino]hexyl]-3-(1-pyridin-1-iumyl)propanamide dichloride IUPAC Name: 3-pyridin-1-ium-1-yl-N-[6-(3-pyridin-1-ium-1-ylpropanoylamino)hexyl]propanamide dichloride Traditional Name: 3-pyridin-1-ium-1-yl-N-[6-(3-pyridin-1-ium-1-ylpropanoylamino)hexyl]propionamide dichloride Formula: C22H32Cl2N4O2 MolecularWeight: 455.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCC(=O)NCCCCCCNC(=O)CC[N+]2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCC(=O)NCCCCCCNC(=O)CC[N+]2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C22H30N4O2.2ClH/c27-21(11-19-25-15-7-3-8-16-25)23-13-5-1-2-6-14-24-22(28)12-20-26-17-9-4-10-18-26;;/h3-4,7-10,15-18H,1-2,5-6,11-14,19-20H2;2*1H