N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-1,3-diketo-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]isoindoline-5-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

InChI

InChI=1S/C21H27N3O3/c1-3-11-24-20(26)17-9-8-16(14-18(17)21(24)27)19(25)22-10-6-13-23-12-5-4-7-15(23)2/h3,8-9,14-15H,1,4-7,10-13H2,2H3,(H,22,25)/p+1/t15-/m0/s1