bis[(2,5-dimethylphenyl)methyl]-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium

Systemtic Name: bis[(2,5-dimethylphenyl)methyl]-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium Openeye Name: bis[(2,5-dimethylphenyl)methyl]-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]ammonium CAS Name: bis[(2,5-dimethylphenyl)methyl]-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: bis[(2,5-dimethylphenyl)methyl]-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]azanium Traditional Name: bis(2,5-dimethylbenzyl)-[4-(2-ketopyrrolidino)benzyl]ammonium Formula: C29H35N2O+ MolecularWeight: 427.601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+](CC2=CC=C(C=C2)N3CCCC3=O)CC4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+](CC2=CC=C(C=C2)N3CCCC3=O)CC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C29H34N2O/c1-21-7-9-23(3)26(16-21)19-30(20-27-17-22(2)8-10-24(27)4)18-25-11-13-28(14-12-25)31-15-5-6-29(31)32/h7-14,16-17H,5-6,15,18-20H2,1-4H3/p+1