3-(azepan-1-ium-1-yl)-N-[6-[3-(azepan-1-ium-1-yl)propanoylamino]acridin-10-ium-3-yl]propanamide

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-[6-[3-(azepan-1-ium-1-yl)propanoylamino]acridin-10-ium-3-yl]propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-[6-[3-(azepan-1-ium-1-yl)propanoylamino]acridin-10-ium-3-yl]propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-[6-[[3-(1-azepan-1-iumyl)-1-oxopropyl]amino]-3-acridin-10-iumyl]propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-[6-[3-(azepan-1-ium-1-yl)propanoylamino]acridin-10-ium-3-yl]propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-[6-[3-(azepan-1-ium-1-yl)propanoylamino]acridin-10-ium-3-yl]propionamide Formula: C31H44N5O2+3 MolecularWeight: 518.71336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)NC2=CC3=C(C=C2)C=C4C=CC(=CC4=[NH+]3)NC(=O)CC[NH+]5CCCCCC5

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)NC2=CC3=C(C=C2)C=C4C=CC(=CC4=[NH+]3)NC(=O)CC[NH+]5CCCCCC5

InChI

InChI=1S/C31H41N5O2/c37-30(13-19-35-15-5-1-2-6-16-35)32-26-11-9-24-21-25-10-12-27(23-29(25)34-28(24)22-26)33-31(38)14-20-36-17-7-3-4-8-18-36/h9-12,21-23H,1-8,13-20H2,(H,32,37)(H,33,38)/p+3