N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-3-phenyl-phthalazine-1-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-17-8-7-14-26(16-17)15-13-24-22(28)21-19-11-5-6-12-20(19)23(29)27(25-21)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3,(H,24,28)/p+1/t17-/m0/s1