8-methoxy-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-methoxy-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-methoxy-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC[NH+]4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC[NH+]4CCCC4

InChI

InChI=1S/C17H20N4O2/c1-23-12-4-5-14-13(10-12)15-16(19-14)17(22)21(11-18-15)9-8-20-6-2-3-7-20/h4-5,10-11,19H,2-3,6-9H2,1H3/p+1