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

Systemtic Name: methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium Openeye Name: [2-(isopropylamino)-2-oxo-ethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]ammonium CAS Name: [4-[anilino(oxo)methyl]phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium Traditional Name: [2-(isopropylamino)-2-keto-ethyl]-methyl-[4-(phenylcarbamoyl)benzyl]ammonium Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-15(2)21-19(24)14-23(3)13-16-9-11-17(12-10-16)20(25)22-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,21,24)(H,22,25)/p+1