2-isoquinolin-2-ium-2-yl-N-[2-[2-(2-isoquinolin-2-ium-2-ylpropanoylamino)ethoxy]ethyl]propanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-[2-[2-(2-isoquinolin-2-ium-2-ylpropanoylamino)ethoxy]ethyl]propanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[2-[2-(2-isoquinolin-2-ium-2-ylpropanoylamino)ethoxy]ethyl]propanamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[2-[2-[[2-(2-isoquinolin-2-iumyl)-1-oxopropyl]amino]ethoxy]ethyl]propanamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-[2-[2-(2-isoquinolin-2-ium-2-ylpropanoylamino)ethoxy]ethyl]propanamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[2-[2-(2-isoquinolin-2-ium-2-ylpropanoylamino)ethoxy]ethyl]propionamide Formula: C28H32N4O3+2 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOCCNC(=O)C(C)[N+]1=CC2=CC=CC=C2C=C1)[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NCCOCCNC(=O)C(C)[N+]1=CC2=CC=CC=C2C=C1)[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H30N4O3/c1-21(31-15-11-23-7-3-5-9-25(23)19-31)27(33)29-13-17-35-18-14-30-28(34)22(2)32-16-12-24-8-4-6-10-26(24)20-32/h3-12,15-16,19-22H,13-14,17-18H2,1-2H3/p+2