methyl-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: methyl-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-methyl-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]ammonium CAS Name: methyl-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: methyl-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[[1-keto-4-(2-thienyl)phthalazin-2-yl]methyl]-methyl-ammonium Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCC=C)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCC=C)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C24H23N3O2S/c1-3-14-29-19-12-10-18(11-13-19)16-26(2)17-27-24(28)21-8-5-4-7-20(21)23(25-27)22-9-6-15-30-22/h3-13,15H,1,14,16-17H2,2H3/p+1