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

Systemtic Name: [(2S,3S)-1-[(4-tert-butylphenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(4-tert-butylphenyl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-(4-tert-butylanilino)-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(4-tert-butylanilino)-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[(4-tert-butylphenyl)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=CC=C(C=C1)C(C)(C)C)[NH3+]

Isomeric SMILES

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

InChI

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