6-(3-azanylpropyl)-N-(6-ethyloctan-2-yl)-2-methoxy-acridin-10-ium-9-amine

Systemtic Name: 6-(3-azanylpropyl)-N-(6-ethyloctan-2-yl)-2-methoxy-acridin-10-ium-9-amine Openeye Name: 6-(3-aminopropyl)-N-(5-ethyl-1-methyl-heptyl)-2-methoxy-acridin-10-ium-9-amine CAS Name: 6-(3-aminopropyl)-N-(6-ethyloctan-2-yl)-2-methoxy-9-acridin-10-iumamine IUPAC Name: 6-(3-aminopropyl)-N-(6-ethyloctan-2-yl)-2-methoxyacridin-10-ium-9-amine Traditional Name: [6-(3-aminopropyl)-2-methoxy-acridin-10-ium-9-yl]-(5-ethyl-1-methyl-heptyl)amine Formula: C27H40N3O+ MolecularWeight: 422.626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCC(C)NC1=C2C=C(C=CC2=[NH+]C3=C1C=CC(=C3)CCCN)OC

Isomeric SMILES

CCC(CC)CCCC(C)NC1=C2C=C(C=CC2=[NH+]C3=C1C=CC(=C3)CCCN)OC

InChI

InChI=1S/C27H39N3O/c1-5-20(6-2)10-7-9-19(3)29-27-23-14-12-21(11-8-16-28)17-26(23)30-25-15-13-22(31-4)18-24(25)27/h12-15,17-20H,5-11,16,28H2,1-4H3,(H,29,30)/p+1