[2-[3-[(1R,2S)-2-methylcyclohexyl]oxypropanoylamino]phenyl]methylazanium

Systemtic Name: [2-[3-[(1R,2S)-2-methylcyclohexyl]oxypropanoylamino]phenyl]methylazanium Openeye Name: [2-[3-[(1R,2S)-2-methylcyclohexoxy]propanoylamino]phenyl]methylammonium CAS Name: [2-[[3-[(1R,2S)-2-methylcyclohexyl]oxy-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [2-[3-[(1R,2S)-2-methylcyclohexyl]oxypropanoylamino]phenyl]methylazanium Traditional Name: [2-[3-[(1R,2S)-2-methylcyclohexoxy]propanoylamino]benzyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1OCCC(=O)NC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C[C@H]1CCCC[C@H]1OCCC(=O)NC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C17H26N2O2/c1-13-6-2-5-9-16(13)21-11-10-17(20)19-15-8-4-3-7-14(15)12-18/h3-4,7-8,13,16H,2,5-6,9-12,18H2,1H3,(H,19,20)/p+1/t13-,16+/m0/s1