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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]phthalazine-1-carboxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C20H22N4O2S/c1-23-20(26)15-8-3-2-7-14(15)18(22-23)19(25)21-13-16(17-9-6-12-27-17)24-10-4-5-11-24/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,21,25)/p+1/t16-/m1/s1