8-ethoxy-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: 8-ethoxy-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: 8-ethoxy-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine CAS Name: 8-ethoxy-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: 8-ethoxy-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: (8-ethoxy-5H-pyrimid[5,4-b]indol-4-yl)-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]amine Formula: C20H30N6O+2 MolecularWeight: 370.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3NCCC[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3NCCC[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C20H28N6O/c1-3-27-15-5-6-17-16(13-15)18-19(24-17)20(23-14-22-18)21-7-4-8-26-11-9-25(2)10-12-26/h5-6,13-14,24H,3-4,7-12H2,1-2H3,(H,21,22,23)/p+2