3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]phthalazine-1-carboxamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C20H22N4O3S/c1-23-20(26)15-6-3-2-5-14(15)18(22-23)19(25)21-13-16(17-7-4-12-28-17)24-8-10-27-11-9-24/h2-7,12,16H,8-11,13H2,1H3,(H,21,25)/p+1/t16-/m1/s1