4-methylbenzenesulfonic acid; 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one Openeye Name: 4-methylbenzenesulfonic acid; 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-naphthyl]pyridazin-3-one CAS Name: 4-methylbenzenesulfonic acid; 2-[6-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]-2-naphthalenyl]-3-pyridazinone IUPAC Name: 4-methylbenzenesulfonic acid; 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one Traditional Name: 2-[6-[2-[(2R)-2-methylpyrrolidino]ethyl]-2-naphthyl]pyridazin-3-one; tosylic acid Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1CCC2=CC3=C(C=C2)C=C(C=C3)N4C(=O)C=CC=N4.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C[C@@H]1CCCN1CCC2=CC3=C(C=C2)C=C(C=C3)N4C(=O)C=CC=N4.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H23N3O.C7H8O3S/c1-16-4-3-12-23(16)13-10-17-6-7-19-15-20(9-8-18(19)14-17)24-21(25)5-2-11-22-24;1-6-2-4-7(5-3-6)11(8,9)10/h2,5-9,11,14-16H,3-4,10,12-13H2,1H3;2-5H,1H3,(H,8,9,10)/t16-;/m1./s1