dibutyl-[3-(8-methoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium

Systemtic Name: dibutyl-[3-(8-methoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium Openeye Name: dibutyl-[3-(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]ammonium CAS Name: dibutyl-[3-(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]ammonium IUPAC Name: dibutyl-[3-(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium Traditional Name: dibutyl-[3-(4-keto-8-methoxy-5H-pyrimid[5,4-b]indol-3-yl)propyl]ammonium Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCN1C=NC2=C(C1=O)NC3=C2C=C(C=C3)OC

Isomeric SMILES

CCCC[NH+](CCCC)CCCN1C=NC2=C(C1=O)NC3=C2C=C(C=C3)OC

InChI

InChI=1S/C22H32N4O2/c1-4-6-11-25(12-7-5-2)13-8-14-26-16-23-20-18-15-17(28-3)9-10-19(18)24-21(20)22(26)27/h9-10,15-16,24H,4-8,11-14H2,1-3H3/p+1