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

Systemtic Name: 5-azanyl-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; methanesulfonic acid Openeye Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; methanesulfonic acid CAS Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; methanesulfonic acid IUPAC Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; methanesulfonic acid Traditional Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-quinone; mesylic acid Formula: C18H25N3O8S2 MolecularWeight: 475.5364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2.2CH4O3S/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21;2*1-5(2,3)4/h3-5,8-9H,6-7,17H2,1-2H3;2*1H3,(H,2,3,4)