2-(2-methylpropanoylamino)ethyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium

Systemtic Name: 2-(2-methylpropanoylamino)ethyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: 2-[(2-methyl-1-oxopropyl)amino]ethyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ammonium IUPAC Name: 2-(2-methylpropanoylamino)ethyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]azanium Traditional Name: 2-(isobutyrylamino)ethyl-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]ammonium Formula: C16H33N2O+ MolecularWeight: 269.44602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH2+]CCNC(=O)C(C)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)[NH2+]CCNC(=O)C(C)C)C(C)C

InChI

InChI=1S/C16H32N2O/c1-11(2)14-7-6-13(5)10-15(14)17-8-9-18-16(19)12(3)4/h11-15,17H,6-10H2,1-5H3,(H,18,19)/p+1/t13-,14+,15-/m0/s1