dibutyl-[3-(9-chloranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium

Systemtic Name: dibutyl-[3-(9-chloranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium Openeye Name: dibutyl-[3-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]ammonium CAS Name: dibutyl-[3-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]ammonium IUPAC Name: dibutyl-[3-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium Traditional Name: dibutyl-[3-(9-chloro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)propyl]ammonium Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O/c1-3-5-11-25(12-6-4-2)13-8-14-26-15-23-19-18-16(22)9-7-10-17(18)24-20(19)21(26)27/h7,9-10,15,24H,3-6,8,11-14H2,1-2H3/p+1