1,5-dimethyl-2-phenyl-4-[(4-prop-2-ynylmorpholin-4-ium-4-yl)methyl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(4-prop-2-ynylmorpholin-4-ium-4-yl)methyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(4-prop-2-ynylmorpholin-4-ium-4-yl)methyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[(4-prop-2-ynyl-4-morpholin-4-iumyl)methyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(4-prop-2-ynylmorpholin-4-ium-4-yl)methyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[(4-propargylmorpholin-4-ium-4-yl)methyl]-3-pyrazolin-3-one Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[N+]3(CCOCC3)CC#C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[N+]3(CCOCC3)CC#C

InChI

InChI=1S/C19H24N3O2/c1-4-10-22(11-13-24-14-12-22)15-18-16(2)20(3)21(19(18)23)17-8-6-5-7-9-17/h1,5-9H,10-15H2,2-3H3/q+1