[(2S)-3-(9H-carbazol-4-yloxy)-2-oxidanyl-propyl]-[2-(2-methoxy-5-phenylmethoxy-phenoxy)ethyl]azanium

Systemtic Name: [(2S)-3-(9H-carbazol-4-yloxy)-2-oxidanyl-propyl]-[2-(2-methoxy-5-phenylmethoxy-phenoxy)ethyl]azanium Openeye Name: 2-(5-benzyloxy-2-methoxy-phenoxy)ethyl-[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-[2-(2-methoxy-5-phenylmethoxyphenoxy)ethyl]ammonium IUPAC Name: [(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-[2-(2-methoxy-5-phenylmethoxyphenoxy)ethyl]azanium Traditional Name: 2-(5-benzoxy-2-methoxy-phenoxy)ethyl-[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxy-propyl]ammonium Formula: C31H33N2O5+ MolecularWeight: 513.60412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OCC2=CC=CC=C2)OCC[NH2+]CC(COC3=CC=CC4=C3C5=CC=CC=C5N4)O

Isomeric SMILES

COC1=C(C=C(C=C1)OCC2=CC=CC=C2)OCC[NH2+]C[C@@H](COC3=CC=CC4=C3C5=CC=CC=C5N4)O

InChI

InChI=1S/C31H32N2O5/c1-35-28-15-14-24(37-20-22-8-3-2-4-9-22)18-30(28)36-17-16-32-19-23(34)21-38-29-13-7-12-27-31(29)25-10-5-6-11-26(25)33-27/h2-15,18,23,32-34H,16-17,19-21H2,1H3/p+1/t23-/m0/s1