1-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C23H31N6O3+ MolecularWeight: 439.53064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCC(CC4)(C(=O)N)[NH+]5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCC(CC4)(C(=O)N)[NH+]5CCCCC5)OC

InChI

InChI=1S/C23H30N6O3/c1-31-17-12-15-16(13-18(17)32-2)27-20-19(15)25-14-26-21(20)28-10-6-23(7-11-28,22(24)30)29-8-4-3-5-9-29/h12-14,27H,3-11H2,1-2H3,(H2,24,30)/p+1