tert-butyl N-[1-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)-2-phenyl-ethyl]carbamate iodide

Systemtic Name: tert-butyl N-[1-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)-2-phenyl-ethyl]carbamate iodide Openeye Name: tert-butyl N-[1-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)-2-phenyl-ethyl]carbamate iodide CAS Name: N-[1-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)-2-phenylethyl]carbamic acid tert-butyl ester iodide IUPAC Name: tert-butyl N-[1-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)-2-phenylethyl]carbamate iodide Traditional Name: N-[1-(2-methyl-9H-$b-carbolin-2-ium-1-yl)-2-phenyl-ethyl]carbamic acid tert-butyl ester iodide Formula: C25H28IN3O2 MolecularWeight: 529.41319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2=[N+](C=CC3=C2NC4=CC=CC=C34)C.[I-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2=[N+](C=CC3=C2NC4=CC=CC=C34)C.[I-]

InChI

InChI=1S/C25H27N3O2.HI/c1-25(2,3)30-24(29)27-21(16-17-10-6-5-7-11-17)23-22-19(14-15-28(23)4)18-12-8-9-13-20(18)26-22;/h5-15,21H,16H2,1-4H3,(H,27,29);1H