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

Systemtic Name: dibutyl-[3-[(8-chloranyl-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]azanium Openeye Name: dibutyl-[3-[(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]ammonium CAS Name: dibutyl-[3-[(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]ammonium IUPAC Name: dibutyl-[3-[(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]azanium Traditional Name: dibutyl-[3-[(8-chloro-5H-pyrimid[5,4-b]indol-4-yl)amino]propyl]ammonium Formula: C21H31ClN5+ MolecularWeight: 388.95734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCNC1=NC=NC2=C1NC3=C2C=C(C=C3)Cl

Isomeric SMILES

CCCC[NH+](CCCC)CCCNC1=NC=NC2=C1NC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C21H30ClN5/c1-3-5-11-27(12-6-4-2)13-7-10-23-21-20-19(24-15-25-21)17-14-16(22)8-9-18(17)26-20/h8-9,14-15,26H,3-7,10-13H2,1-2H3,(H,23,24,25)/p+1