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

Systemtic Name: ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium Openeye Name: ethyl-[2-(isopropylamino)-2-oxo-ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]ammonium CAS Name: [4-[anilino(oxo)methyl]phenyl]methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium Traditional Name: ethyl-[2-(isopropylamino)-2-keto-ethyl]-[4-(phenylcarbamoyl)benzyl]ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)CC(=O)NC(C)C

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)CC(=O)NC(C)C

InChI

InChI=1S/C21H27N3O2/c1-4-24(15-20(25)22-16(2)3)14-17-10-12-18(13-11-17)21(26)23-19-8-6-5-7-9-19/h5-13,16H,4,14-15H2,1-3H3,(H,22,25)(H,23,26)/p+1