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

Systemtic Name: 3-(8-ethoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethyl-azanium Openeye Name: 3-(8-ethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethyl-ammonium CAS Name: 3-(8-ethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethylammonium IUPAC Name: 3-(8-ethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethylazanium Traditional Name: 3-(8-ethoxy-4-keto-5H-pyrimid[5,4-b]indol-3-yl)propyl-dimethyl-ammonium Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC[NH+](C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC[NH+](C)C

InChI

InChI=1S/C17H22N4O2/c1-4-23-12-6-7-14-13(10-12)15-16(19-14)17(22)21(11-18-15)9-5-8-20(2)3/h6-7,10-11,19H,4-5,8-9H2,1-3H3/p+1