5-methyl-2-[1-(phenylmethyl)piperidin-1-ium-4-yl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[1-(phenylmethyl)piperidin-1-ium-4-yl]isoindole-1,3-dione Openeye Name: 2-(1-benzylpiperidin-1-ium-4-yl)-5-methyl-isoindoline-1,3-dione CAS Name: 5-methyl-2-[1-(phenylmethyl)-4-piperidin-1-iumyl]isoindole-1,3-dione IUPAC Name: 2-(1-benzylpiperidin-1-ium-4-yl)-5-methylisoindole-1,3-dione Traditional Name: 2-(1-benzylpiperidin-1-ium-4-yl)-5-methyl-isoindoline-1,3-quinone Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2/c1-15-7-8-18-19(13-15)21(25)23(20(18)24)17-9-11-22(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3/p+1