4-[(2S)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(2S)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(2S)-3-(9-carbazolyl)-2-hydroxypropyl]-N-(4-chlorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide Formula: C26H28ClN4O2+ MolecularWeight: 463.97912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C(=O)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CN2C3=CC=CC=C3C4=CC=CC=C42)O)C(=O)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H27ClN4O2/c27-19-9-11-20(12-10-19)28-26(33)30-15-13-29(14-16-30)17-21(32)18-31-24-7-3-1-5-22(24)23-6-2-4-8-25(23)31/h1-12,21,32H,13-18H2,(H,28,33)/p+1/t21-/m1/s1