[(2S)-3-carbazol-9-yl-2-oxidanyl-propyl]-[(1R,2S)-2-oxidanylcyclohexyl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-3-carbazol-9-yl-2-oxidanyl-propyl]-[(1R,2S)-2-oxidanylcyclohexyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]-[(1R,2S)-2-hydroxycyclohexyl]ammonium CAS Name: [(2S)-3-(9-carbazolyl)-2-hydroxypropyl]-[(1R,2S)-2-hydroxycyclohexyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-[(1R,2S)-2-hydroxycyclohexyl]azanium Traditional Name: benzyl-[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]-[(1R,2S)-2-hydroxycyclohexyl]ammonium Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)[NH+](CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)[NH+](CC2=CC=CC=C2)C[C@H](CN3C4=CC=CC=C4C5=CC=CC=C53)O)O

InChI

InChI=1S/C28H32N2O2/c31-22(20-30-25-14-6-4-12-23(25)24-13-5-7-15-26(24)30)19-29(18-21-10-2-1-3-11-21)27-16-8-9-17-28(27)32/h1-7,10-15,22,27-28,31-32H,8-9,16-20H2/p+1/t22-,27-,28+/m1/s1