[(2S)-1-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]ethyl]-dimethyl-ammonium Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(CC3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC[C@H](CC3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C24H29N3O3/c1-4-5-13-27-23(29)20-12-11-18(15-21(20)24(27)30)22(28)25-16-19(26(2)3)14-17-9-7-6-8-10-17/h6-12,15,19H,4-5,13-14,16H2,1-3H3,(H,25,28)/p+1/t19-/m0/s1