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

Systemtic Name: dimethyl-[3-(8-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium Openeye Name: dimethyl-[3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]ammonium CAS Name: dimethyl-[3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]ammonium IUPAC Name: dimethyl-[3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium Traditional Name: 3-(4-keto-8-methyl-5H-pyrimid[5,4-b]indol-3-yl)propyl-dimethyl-ammonium Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC[NH+](C)C

InChI

InChI=1S/C16H20N4O/c1-11-5-6-13-12(9-11)14-15(18-13)16(21)20(10-17-14)8-4-7-19(2)3/h5-6,9-10,18H,4,7-8H2,1-3H3/p+1