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

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-phenyl-phthalazine-1-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2/c1-18-12-16-27(17-13-18)15-7-14-25-23(29)22-20-10-5-6-11-21(20)24(30)28(26-22)19-8-3-2-4-9-19/h2-6,8-11,18H,7,12-17H2,1H3,(H,25,29)/p+1