cycloheptyl-[(2R)-3-(3-ethoxyphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cycloheptyl-[(2R)-3-(3-ethoxyphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cycloheptyl-[(2R)-3-(3-ethoxyphenoxy)-2-hydroxy-propyl]ammonium CAS Name: cycloheptyl-[(2R)-3-(3-ethoxyphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: cycloheptyl-[(2R)-3-(3-ethoxyphenoxy)-2-hydroxypropyl]azanium Traditional Name: cycloheptyl-[(2R)-3-(3-ethoxyphenoxy)-2-hydroxy-propyl]ammonium Formula: C18H30NO3+ MolecularWeight: 308.4357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)OCC(C[NH2+]C2CCCCCC2)O

Isomeric SMILES

CCOC1=CC(=CC=C1)OC[C@@H](C[NH2+]C2CCCCCC2)O

InChI

InChI=1S/C18H29NO3/c1-2-21-17-10-7-11-18(12-17)22-14-16(20)13-19-15-8-5-3-4-6-9-15/h7,10-12,15-16,19-20H,2-6,8-9,13-14H2,1H3/p+1/t16-/m1/s1