4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-4-ium-5-one; 4-methylbenzenesulfonate

Systemtic Name: 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-4-ium-5-one; 4-methylbenzenesulfonate Openeye Name: 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-4-ium-5-one; 4-methylbenzenesulfonate CAS Name: 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-4-ium-5-one; 4-methylbenzenesulfonate IUPAC Name: 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-4-ium-5-one; 4-methylbenzenesulfonate Traditional Name: 4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-4-ium-5-one tosylate Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2CCCN2C3=CC=CC=C3C1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C2CCCN2C3=CC=CC=C3C1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H15N2O.C7H8O3S/c1-2-14-12-8-5-9-15(12)11-7-4-3-6-10(11)13(14)16;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6-7H,2,5,8-9H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1