2-isoquinolin-2-ium-2-yl-N-[3-[3-(2-isoquinolin-2-ium-2-ylethanoylamino)propylcarbamoylamino]propyl]ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-[3-[3-(2-isoquinolin-2-ium-2-ylethanoylamino)propylcarbamoylamino]propyl]ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[3-[3-[(2-isoquinolin-2-ium-2-ylacetyl)amino]propylcarbamoylamino]propyl]acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[3-[[[3-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]propylamino]-oxomethyl]amino]propyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-[3-[3-[(2-isoquinolin-2-ium-2-ylacetyl)amino]propylcarbamoylamino]propyl]acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[3-[3-[(2-isoquinolin-2-ium-2-ylacetyl)amino]propylcarbamoylamino]propyl]acetamide Formula: C29H34N6O3+2 MolecularWeight: 514.61866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N6O3/c36-27(21-34-17-11-23-7-1-3-9-25(23)19-34)30-13-5-15-32-29(38)33-16-6-14-31-28(37)22-35-18-12-24-8-2-4-10-26(24)20-35/h1-4,7-12,17-20H,5-6,13-16,21-22H2,(H2-2,30,31,32,33,36,37,38)/p+2