4-isoquinolin-2-ium-2-yl-N-[3-[3-(4-isoquinolin-2-ium-2-ylbutanoylamino)propoxy]propyl]butanamide

Systemtic Name: 4-isoquinolin-2-ium-2-yl-N-[3-[3-(4-isoquinolin-2-ium-2-ylbutanoylamino)propoxy]propyl]butanamide Openeye Name: 4-isoquinolin-2-ium-2-yl-N-[3-[3-(4-isoquinolin-2-ium-2-ylbutanoylamino)propoxy]propyl]butanamide CAS Name: 4-(2-isoquinolin-2-iumyl)-N-[3-[3-[[4-(2-isoquinolin-2-iumyl)-1-oxobutyl]amino]propoxy]propyl]butanamide IUPAC Name: 4-isoquinolin-2-ium-2-yl-N-[3-[3-(4-isoquinolin-2-ium-2-ylbutanoylamino)propoxy]propyl]butanamide Traditional Name: 4-isoquinolin-2-ium-2-yl-N-[3-[3-(4-isoquinolin-2-ium-2-ylbutanoylamino)propoxy]propyl]butyramide Formula: C32H40N4O3+2 MolecularWeight: 528.685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCCC(=O)NCCCOCCCNC(=O)CCC[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCCC(=O)NCCCOCCCNC(=O)CCC[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C32H38N4O3/c37-31(13-5-19-35-21-15-27-9-1-3-11-29(27)25-35)33-17-7-23-39-24-8-18-34-32(38)14-6-20-36-22-16-28-10-2-4-12-30(28)26-36/h1-4,9-12,15-16,21-22,25-26H,5-8,13-14,17-20,23-24H2/p+2