N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzoxazol-2-amine

Systemtic Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzoxazol-2-amine Openeye Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzoxazol-2-amine CAS Name: N-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzoxazol-2-amine IUPAC Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-1,3-benzoxazol-2-amine Traditional Name: 1,3-benzoxazol-2-yl-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C19H22N3O+ MolecularWeight: 308.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3O/c1-2-8-15(9-3-1)17(22-12-6-7-13-22)14-20-19-21-16-10-4-5-11-18(16)23-19/h1-5,8-11,17H,6-7,12-14H2,(H,20,21)/p+1/t17-/m1/s1