[(2R)-1-[[4-(azaniumylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-1-[[4-(azaniumylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-methyl-propan-2-yl-azanium Openeye Name: [(1R)-2-[4-(azaniumylmethyl)anilino]-1-methyl-2-oxo-ethyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-1-[4-(ammoniomethyl)anilino]-1-oxopropan-2-yl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-1-[4-(azaniumylmethyl)anilino]-1-oxopropan-2-yl]-methyl-propan-2-ylazanium Traditional Name: [(1R)-2-[4-(ammoniomethyl)anilino]-2-keto-1-methyl-ethyl]-isopropyl-methyl-ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)C(C)C(=O)NC1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C[NH3+])[NH+](C)C(C)C

InChI

InChI=1S/C14H23N3O/c1-10(2)17(4)11(3)14(18)16-13-7-5-12(9-15)6-8-13/h5-8,10-11H,9,15H2,1-4H3,(H,16,18)/p+2/t11-/m1/s1