5-azanyl-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; (2S)-2-oxidanylbutanedioic acid

Systemtic Name: 5-azanyl-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; (2S)-2-oxidanylbutanedioic acid Openeye Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; (2S)-2-hydroxybutanedioic acid CAS Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; (2S)-2-hydroxybutanedioic acid IUPAC Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; (2S)-2-hydroxybutanedioic acid Traditional Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-quinone; (2S)-2-hydroxysuccinic acid Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N.C([C@@H](C(=O)O)O)C(=O)O

InChI

InChI=1S/C16H17N3O2.C4H6O5/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21;5-2(4(8)9)1-3(6)7/h3-5,8-9H,6-7,17H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1