3-azanyl-8-piperazin-1-yl-chromen-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azanyl-8-piperazin-1-yl-chromen-2-one; 4-methylbenzenesulfonic acid Openeye Name: 3-amino-8-piperazin-1-yl-chromen-2-one; 4-methylbenzenesulfonic acid CAS Name: 3-amino-8-(1-piperazinyl)-1-benzopyran-2-one; 4-methylbenzenesulfonic acid IUPAC Name: 3-amino-8-piperazin-1-ylchromen-2-one; 4-methylbenzenesulfonic acid Traditional Name: 3-amino-8-piperazino-coumarin; tosylic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N

InChI

InChI=1S/C13H15N3O2.C7H8O3S/c14-10-8-9-2-1-3-11(12(9)18-13(10)17)16-6-4-15-5-7-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,8,15H,4-7,14H2;2-5H,1H3,(H,8,9,10)