2-methyl-1,3-bis(oxidanylidene)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]isoindole-5-carboxamide

Systemtic Name: 2-methyl-1,3-bis(oxidanylidene)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]isoindole-5-carboxamide Openeye Name: 2-methyl-1,3-dioxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]isoindoline-5-carboxamide CAS Name: 2-methyl-1,3-dioxo-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-5-isoindolecarboxamide IUPAC Name: 2-methyl-1,3-dioxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]isoindoline-5-carboxamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-25-22(28)19-10-9-17(14-20(19)23(25)29)21(27)24-18-8-5-12-26(15-18)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3,(H,24,27)/p+1/t18-/m0/s1