4-(4-ethylpiperazin-4-ium-1-yl)-9-methoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-9-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-9-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-9-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-9-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-9-methoxy-5H-pyrimid[5,4-b]indole Formula: C17H22N5O+ MolecularWeight: 312.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2NC4=C3C(=CC=C4)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2NC4=C3C(=CC=C4)OC

InChI

InChI=1S/C17H21N5O/c1-3-21-7-9-22(10-8-21)17-16-15(18-11-19-17)14-12(20-16)5-4-6-13(14)23-2/h4-6,11,20H,3,7-10H2,1-2H3/p+1