[(2S,3S)-1-[[4-(diethylamino)phenyl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[[4-(diethylamino)phenyl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[[4-(diethylamino)phenyl]carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[4-(diethylamino)anilino]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[4-(diethylamino)anilino]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[[4-(diethylamino)phenyl]carbamoyl]-2-methyl-butyl]ammonium Formula: C16H28N3O+ MolecularWeight: 278.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-5-12(4)15(17)16(20)18-13-8-10-14(11-9-13)19(6-2)7-3/h8-12,15H,5-7,17H2,1-4H3,(H,18,20)/p+1/t12-,15-/m0/s1