2-[(8-chloranyl-5H-pyrimido[5,4-b]indol-4-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(8-chloranyl-5H-pyrimido[5,4-b]indol-4-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(8-chloro-5H-pyrimid[5,4-b]indol-4-yl)amino]ethyl-diethyl-ammonium Formula: C16H21ClN5+ MolecularWeight: 318.82444

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC=NC2=C1NC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC)CCNC1=NC=NC2=C1NC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C16H20ClN5/c1-3-22(4-2)8-7-18-16-15-14(19-10-20-16)12-9-11(17)5-6-13(12)21-15/h5-6,9-10,21H,3-4,7-8H2,1-2H3,(H,18,19,20)/p+1