bis[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]azanium

Systemtic Name: bis[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]azanium Openeye Name: [4-(benzyloxymethyl)phenyl]methyl-bis[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: bis[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]ammonium IUPAC Name: bis[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]azanium Traditional Name: [4-(benzoxymethyl)benzyl]-bis[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+](CC1=CC=C(C=C1)COCC2=CC=CC=C2)CC(=O)NC(C)C

Isomeric SMILES

CC(C)NC(=O)C[NH+](CC1=CC=C(C=C1)COCC2=CC=CC=C2)CC(=O)NC(C)C

InChI

InChI=1S/C25H35N3O3/c1-19(2)26-24(29)15-28(16-25(30)27-20(3)4)14-21-10-12-23(13-11-21)18-31-17-22-8-6-5-7-9-22/h5-13,19-20H,14-18H2,1-4H3,(H,26,29)(H,27,30)/p+1