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

Systemtic Name: 1-[(2S)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-3-(9-carbazolyl)-2-hydroxypropyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)C[C@H](CN3C4=CC=CC=C4C5=CC=CC=C53)O

InChI

InChI=1S/C28H31N3O2/c32-23(20-31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31)19-30-16-14-22(15-17-30)28(33)29-18-21-8-2-1-3-9-21/h1-13,22-23,32H,14-20H2,(H,29,33)/p+1/t23-/m1/s1