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

Systemtic Name: [4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indol-9-ium-3-yl]azanium diethanoate Openeye Name: [6-benzyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-9-ium-3-yl]ammonium diacetate CAS Name: [4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indol-9-ium-3-yl]ammonium diacetate IUPAC Name: [4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indol-9-ium-3-yl]azanium diacetate Traditional Name: [6-benzoxy-4-(methoxymethyl)-9H-$b-carbolin-9-ium-3-yl]ammonium diacetate Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].COCC1=C2C3=C(C=CC(=C3)OCC4=CC=CC=C4)[NH2+]C2=CN=C1[NH3+]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].COCC1=C2C3=C(C=CC(=C3)OCC4=CC=CC=C4)[NH2+]C2=CN=C1[NH3+]

InChI

InChI=1S/C20H19N3O2.2C2H4O2/c1-24-12-16-19-15-9-14(25-11-13-5-3-2-4-6-13)7-8-17(15)23-18(19)10-22-20(16)21;2*1-2(3)4/h2-10,23H,11-12H2,1H3,(H2,21,22);2*1H3,(H,3,4)