N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]phthalazine-1-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-19-12-16-28(17-13-19)15-7-14-26-24(30)23-21-10-5-6-11-22(21)25(31)29(27-23)18-20-8-3-2-4-9-20/h2-6,8-11,19H,7,12-18H2,1H3,(H,26,30)/p+1