3-[3-(3-oxidanylidene-4H-pyrido[3,4-b]pyrazin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(3-oxidanylidene-4H-pyrido[3,4-b]pyrazin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(3-oxo-4H-pyrido[3,4-b]pyrazin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(3-oxo-4H-pyrido[3,4-b]pyrazin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(3-oxo-4H-pyrido[3,4-b]pyrazin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-4H-pyrido[3,4-b]pyrazin-2-yl)indol-1-yl]propylammonium acetate Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=C(C=NC=C4)NC3=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=C(C=NC=C4)NC3=O

InChI

InChI=1S/C18H17N5O.C2H4O2/c19-7-3-9-23-11-13(12-4-1-2-5-16(12)23)17-18(24)22-15-10-20-8-6-14(15)21-17;1-2(3)4/h1-2,4-6,8,10-11H,3,7,9,19H2,(H,22,24);1H3,(H,3,4)