[(2S)-3-[3,6-bis(chloranyl)carbazol-9-yl]-2-oxidanyl-propyl]-butyl-methyl-azanium

Systemtic Name: [(2S)-3-[3,6-bis(chloranyl)carbazol-9-yl]-2-oxidanyl-propyl]-butyl-methyl-azanium Openeye Name: butyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxy-propyl]-methyl-ammonium CAS Name: butyl-[(2S)-3-(3,6-dichloro-9-carbazolyl)-2-hydroxypropyl]-methylammonium IUPAC Name: butyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-methylazanium Traditional Name: butyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxy-propyl]-methyl-ammonium Formula: C20H25Cl2N2O+ MolecularWeight: 380.3313

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(CN1C2=C(C=C(C=C2)Cl)C3=C1C=CC(=C3)Cl)O

Isomeric SMILES

CCCC[NH+](C)C[C@H](CN1C2=C(C=C(C=C2)Cl)C3=C1C=CC(=C3)Cl)O

InChI

InChI=1S/C20H24Cl2N2O/c1-3-4-9-23(2)12-16(25)13-24-19-7-5-14(21)10-17(19)18-11-15(22)6-8-20(18)24/h5-8,10-11,16,25H,3-4,9,12-13H2,1-2H3/p+1/t16-/m1/s1