2-isoquinolin-2-ium-2-yl-N-[2-[2-(2-isoquinolin-2-ium-2-ylethanoylamino)ethoxy]ethyl]ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-[2-[2-(2-isoquinolin-2-ium-2-ylethanoylamino)ethoxy]ethyl]ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[2-[2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]ethoxy]ethyl]acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[2-[2-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]ethoxy]ethyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-[2-[2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]ethoxy]ethyl]acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[2-[2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]ethoxy]ethyl]acetamide Formula: C26H28N4O3+2 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c31-25(19-29-13-9-21-5-1-3-7-23(21)17-29)27-11-15-33-16-12-28-26(32)20-30-14-10-22-6-2-4-8-24(22)18-30/h1-10,13-14,17-18H,11-12,15-16,19-20H2/p+2