[4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]phenyl]methylazanium

Systemtic Name: [4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]phenyl]methylazanium Openeye Name: [4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]phenyl]methylammonium CAS Name: [4-[[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-oxomethyl]phenyl]methylammonium IUPAC Name: [4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]phenyl]methylazanium Traditional Name: [4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]benzyl]ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C16H24N2O/c1-11-4-3-5-15(12(11)2)18-16(19)14-8-6-13(10-17)7-9-14/h6-9,11-12,15H,3-5,10,17H2,1-2H3,(H,18,19)/p+1/t11-,12+,15-/m0/s1