3-[2-azanyl-3-(3-methoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]propylazanium

Systemtic Name: 3-[2-azanyl-3-(3-methoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]propylazanium Openeye Name: 3-[2-amino-3-(3-methoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]propylammonium CAS Name: 3-[2-amino-3-[(3-methoxypropylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]propylammonium IUPAC Name: 3-[2-amino-3-(3-methoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]propylazanium Traditional Name: 3-[2-amino-3-(3-methoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]propylammonium Formula: C18H25N6O2+ MolecularWeight: 357.4301

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC[NH3+])N

Isomeric SMILES

COCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC[NH3+])N

InChI

InChI=1S/C18H24N6O2/c1-26-11-5-9-21-18(25)14-15-17(24(16(14)20)10-4-8-19)23-13-7-3-2-6-12(13)22-15/h2-3,6-7H,4-5,8-11,19-20H2,1H3,(H,21,25)/p+1