[(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(1S)-1-phenylbutyl]azanium

Systemtic Name: [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(1S)-1-phenylbutyl]azanium Openeye Name: [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(1S)-1-phenylbutyl]ammonium CAS Name: [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(1S)-1-phenylbutyl]ammonium IUPAC Name: [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(1S)-1-phenylbutyl]azanium Traditional Name: [(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(1S)-1-phenylbutyl]ammonium Formula: C18H30N+ MolecularWeight: 260.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]C2CCCC(C2C)C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)[NH2+][C@H]2CCC[C@H]([C@@H]2C)C

InChI

InChI=1S/C18H29N/c1-4-9-18(16-11-6-5-7-12-16)19-17-13-8-10-14(2)15(17)3/h5-7,11-12,14-15,17-19H,4,8-10,13H2,1-3H3/p+1/t14-,15+,17+,18+/m1/s1