(4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl]-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)C(C)C(=O)NC(=O)OC

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)[C@H](C)C(=O)NC(=O)OC

InChI

InChI=1S/C16H25N3O3/c1-6-19(12(2)15(20)17-16(21)22-5)11-13-7-9-14(10-8-13)18(3)4/h7-10,12H,6,11H2,1-5H3,(H,17,20,21)/p+1/t12-/m1/s1