2-[(2R)-4-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-pentan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[(2R)-4-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-pentan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[(1R)-3-methyl-1-(4-methylpiperazin-4-ium-1-carbonyl)butyl]isoindolin-1-one CAS Name: 2-[(2R)-4-methyl-1-(4-methyl-1-piperazin-4-iumyl)-1-oxopentan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[(2R)-4-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[(1R)-3-methyl-1-(4-methylpiperazin-4-ium-1-carbonyl)butyl]isoindolin-1-one Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CC[NH+](CC1)C)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C[C@H](C(=O)N1CC[NH+](CC1)C)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H27N3O2/c1-14(2)12-17(19(24)21-10-8-20(3)9-11-21)22-13-15-6-4-5-7-16(15)18(22)23/h4-7,14,17H,8-13H2,1-3H3/p+1/t17-/m1/s1