[(2R)-5-methylhexan-2-yl]-[(1S)-1-phenylbutyl]azanium

Systemtic Name: [(2R)-5-methylhexan-2-yl]-[(1S)-1-phenylbutyl]azanium Openeye Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-phenylbutyl]ammonium CAS Name: [(2R)-5-methylhexan-2-yl]-[(1S)-1-phenylbutyl]ammonium IUPAC Name: [(2R)-5-methylhexan-2-yl]-[(1S)-1-phenylbutyl]azanium Traditional Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-phenylbutyl]ammonium Formula: C17H30N+ MolecularWeight: 248.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]C(C)CCC(C)C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)[NH2+][C@H](C)CCC(C)C

InChI

InChI=1S/C17H29N/c1-5-9-17(16-10-7-6-8-11-16)18-15(4)13-12-14(2)3/h6-8,10-11,14-15,17-18H,5,9,12-13H2,1-4H3/p+1/t15-,17+/m1/s1