[4-[3-[(1S,3S)-3-methylcyclohexyl]oxypropanoylamino]phenyl]methylazanium

Systemtic Name: [4-[3-[(1S,3S)-3-methylcyclohexyl]oxypropanoylamino]phenyl]methylazanium Openeye Name: [4-[3-[(1S,3S)-3-methylcyclohexoxy]propanoylamino]phenyl]methylammonium CAS Name: [4-[[3-[(1S,3S)-3-methylcyclohexyl]oxy-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [4-[3-[(1S,3S)-3-methylcyclohexyl]oxypropanoylamino]phenyl]methylazanium Traditional Name: [4-[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=C(C=C2)C[NH3+]

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)OCCC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C17H26N2O2/c1-13-3-2-4-16(11-13)21-10-9-17(20)19-15-7-5-14(12-18)6-8-15/h5-8,13,16H,2-4,9-12,18H2,1H3,(H,19,20)/p+1/t13-,16-/m0/s1