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

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3H-phthalazine-1-carboxamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c1-14-8-10-25(11-9-14)17(18-7-4-12-28-18)13-22-21(27)19-15-5-2-3-6-16(15)20(26)24-23-19/h2-7,12,14,17H,8-11,13H2,1H3,(H,22,27)(H,24,26)/p+1/t17-/m1/s1