2-[(1S)-6-methyl-1-oxidanyl-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl-bis(phenylmethyl)azanium

Systemtic Name: 2-[(1S)-6-methyl-1-oxidanyl-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-[(1S)-1-hydroxy-6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl]ammonium CAS Name: 2-[(1S)-1-hydroxy-6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-[(1S)-1-hydroxy-6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl]azanium Traditional Name: dibenzyl-[2-[(1S)-1-hydroxy-6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl]ammonium Formula: C29H33N2O+ MolecularWeight: 425.58512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2CCCC3O)CC[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2CCC[C@@H]3O)CC[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N2O/c1-22-15-16-27-26(19-22)25-13-8-14-28(32)29(25)31(27)18-17-30(20-23-9-4-2-5-10-23)21-24-11-6-3-7-12-24/h2-7,9-12,15-16,19,28,32H,8,13-14,17-18,20-21H2,1H3/p+1/t28-/m0/s1