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

Systemtic Name: 2-[(1R)-6-chloranyl-1-oxidanyl-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-[(1R)-6-chloro-1-hydroxy-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl]ammonium CAS Name: 2-[(1R)-6-chloro-1-hydroxy-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-[(1R)-6-chloro-1-hydroxy-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl]azanium Traditional Name: dibenzyl-[2-[(1R)-6-chloro-1-hydroxy-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl]ammonium Formula: C28H30ClN2O+ MolecularWeight: 446.0036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C3=C(N2CC[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5)C=CC(=C3)Cl)O

Isomeric SMILES

C1C[C@H](C2=C(C1)C3=C(N2CC[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5)C=CC(=C3)Cl)O

InChI

InChI=1S/C28H29ClN2O/c29-23-14-15-26-25(18-23)24-12-7-13-27(32)28(24)31(26)17-16-30(19-21-8-3-1-4-9-21)20-22-10-5-2-6-11-22/h1-6,8-11,14-15,18,27,32H,7,12-13,16-17,19-20H2/p+1/t27-/m1/s1