[(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(4-propoxyphenyl)methyl]azanium

Systemtic Name: [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(4-propoxyphenyl)methyl]azanium Openeye Name: [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(4-propoxyphenyl)methyl]ammonium CAS Name: [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(4-propoxyphenyl)methyl]ammonium IUPAC Name: [(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(4-propoxyphenyl)methyl]azanium Traditional Name: [(1R,2S,3S)-2,3-dimethylcyclohexyl]-(4-propoxybenzyl)ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C[NH2+]C2CCCC(C2C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C[NH2+][C@@H]2CCC[C@@H]([C@@H]2C)C

InChI

InChI=1S/C18H29NO/c1-4-12-20-17-10-8-16(9-11-17)13-19-18-7-5-6-14(2)15(18)3/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3/p+1/t14-,15-,18+/m0/s1