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

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-propyl-phthalazine-1-carboxamide Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCOCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCOCC4

InChI

InChI=1S/C25H30N4O4/c1-3-12-29-25(31)21-7-5-4-6-20(21)23(27-29)24(30)26-17-22(28-13-15-33-16-14-28)18-8-10-19(32-2)11-9-18/h4-11,22H,3,12-17H2,1-2H3,(H,26,30)/p+1/t22-/m1/s1