N-[(2S)-2-phenylbutyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(2S)-2-phenylbutyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(2S)-2-phenylbutyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[(2S)-2-phenylbutyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(2S)-2-phenylbutyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[(2S)-2-phenylbutyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C([NH+]=CC=C1)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)C1=C([NH+]=CC=C1)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c1-2-16(17-9-4-3-5-10-17)15-22-20(24)18-11-8-12-21-19(18)23-13-6-7-14-23/h3-5,8-12,16H,2,6-7,13-15H2,1H3,(H,22,24)/p+1/t16-/m1/s1