[(2S,3S)-3-methyl-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(2-isopropyl-6-methyl-phenyl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[(2-isopropyl-6-methyl-phenyl)carbamoyl]-2-methyl-butyl]ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=CC=C1C(C)C)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=C(C=CC=C1C(C)C)C)[NH3+]

InChI

InChI=1S/C16H26N2O/c1-6-11(4)14(17)16(19)18-15-12(5)8-7-9-13(15)10(2)3/h7-11,14H,6,17H2,1-5H3,(H,18,19)/p+1/t11-,14-/m0/s1