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

Systemtic Name: 3-(azepan-1-yl)-N-[6-[3-(azepan-1-yl)propanoylamino]acridin-10-ium-3-yl]propanamide iodide Openeye Name: 3-(azepan-1-yl)-N-[6-[3-(azepan-1-yl)propanoylamino]acridin-10-ium-3-yl]propanamide iodide CAS Name: 3-(1-azepanyl)-N-[6-[[3-(1-azepanyl)-1-oxopropyl]amino]-3-acridin-10-iumyl]propanamide iodide IUPAC Name: 3-(azepan-1-yl)-N-[6-[3-(azepan-1-yl)propanoylamino]acridin-10-ium-3-yl]propanamide iodide Traditional Name: 3-(azepan-1-yl)-N-[6-[3-(azepan-1-yl)propanoylamino]acridin-10-ium-3-yl]propionamide iodide Formula: C31H42IN5O2 MolecularWeight: 643.60195

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C=C4C=CC(=CC4=[NH+]3)NC(=O)CCN5CCCCCC5.[I-]

Isomeric SMILES

C1CCCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C=C4C=CC(=CC4=[NH+]3)NC(=O)CCN5CCCCCC5.[I-]

InChI

InChI=1S/C31H41N5O2.HI/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);1H