[4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indol-9-ium-3-yl]azanium diethanoate

Systemtic Name: [4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indol-9-ium-3-yl]azanium diethanoate Openeye Name: [4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indol-9-ium-3-yl]ammonium diacetate CAS Name: [4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indol-9-ium-3-yl]ammonium diacetate IUPAC Name: [4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indol-9-ium-3-yl]azanium diacetate Traditional Name: [4-(methoxymethyl)-6-propoxy-9H-$b-carbolin-9-ium-3-yl]ammonium diacetate Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)[NH2+]C3=CN=C(C(=C23)COC)[NH3+].CC(=O)[O-].CC(=O)[O-]

Isomeric SMILES

CCCOC1=CC2=C(C=C1)[NH2+]C3=CN=C(C(=C23)COC)[NH3+].CC(=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C16H19N3O2.2C2H4O2/c1-3-6-21-10-4-5-13-11(7-10)15-12(9-20-2)16(17)18-8-14(15)19-13;2*1-2(3)4/h4-5,7-8,19H,3,6,9H2,1-2H3,(H2,17,18);2*1H3,(H,3,4)