(3-methoxy-4-phenethyloxy-phenyl)methyl-[2-[[(2R)-2-oxidanylpropyl]azaniumyl]ethyl]azanium

Systemtic Name: (3-methoxy-4-phenethyloxy-phenyl)methyl-[2-[[(2R)-2-oxidanylpropyl]azaniumyl]ethyl]azanium Openeye Name: [(2R)-2-hydroxypropyl]-[2-[(3-methoxy-4-phenethyloxy-phenyl)methylammonio]ethyl]ammonium CAS Name: [(2R)-2-hydroxypropyl]-[2-[(3-methoxy-4-phenethyloxyphenyl)methylammonio]ethyl]ammonium IUPAC Name: [(2R)-2-hydroxypropyl]-[2-[(3-methoxy-4-phenethyloxyphenyl)methylazaniumyl]ethyl]azanium Traditional Name: [(2R)-2-hydroxypropyl]-[2-[(3-methoxy-4-phenethyloxy-benzyl)ammonio]ethyl]ammonium Formula: C21H32N2O3+2 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CC[NH2+]CC1=CC(=C(C=C1)OCCC2=CC=CC=C2)OC)O

Isomeric SMILES

C[C@H](C[NH2+]CC[NH2+]CC1=CC(=C(C=C1)OCCC2=CC=CC=C2)OC)O

InChI

InChI=1S/C21H30N2O3/c1-17(24)15-22-11-12-23-16-19-8-9-20(21(14-19)25-2)26-13-10-18-6-4-3-5-7-18/h3-9,14,17,22-24H,10-13,15-16H2,1-2H3/p+2/t17-/m1/s1