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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OCCC(=O)NC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)OCCC(=O)NC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C17H26N2O2/c1-13-5-4-7-15(11-13)21-10-9-17(20)19-16-8-3-2-6-14(16)12-18/h2-3,6,8,13,15H,4-5,7,9-12,18H2,1H3,(H,19,20)/p+1/t13-,15-/m0/s1