7,8-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: 7,8-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: 7,8-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine CAS Name: 7,8-dimethoxy-N-[3-(4-morpholin-4-iumyl)propyl]-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: 7,8-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: (7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C19H26N5O3+ MolecularWeight: 372.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)NCCC[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)NCCC[NH+]4CCOCC4)OC

InChI

InChI=1S/C19H25N5O3/c1-25-15-10-13-14(11-16(15)26-2)23-18-17(13)21-12-22-19(18)20-4-3-5-24-6-8-27-9-7-24/h10-12,23H,3-9H2,1-2H3,(H,20,21,22)/p+1