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

Systemtic Name: 3-ethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]phthalazine-1-carboxamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4O3S/c1-2-25-21(27)16-7-4-3-6-15(16)19(23-25)20(26)22-14-17(18-8-5-13-29-18)24-9-11-28-12-10-24/h3-8,13,17H,2,9-12,14H2,1H3,(H,22,26)/p+1/t17-/m0/s1