(2S,3S)-3-(iodanylmethyl)-1-(phenylmethyl)-2-propyl-pyrrolidin-1-ium

Systemtic Name: (2S,3S)-3-(iodanylmethyl)-1-(phenylmethyl)-2-propyl-pyrrolidin-1-ium Openeye Name: (2S,3S)-1-benzyl-3-(iodomethyl)-2-propyl-pyrrolidin-1-ium CAS Name: (2S,3S)-3-(iodomethyl)-1-(phenylmethyl)-2-propylpyrrolidin-1-ium IUPAC Name: (2S,3S)-1-benzyl-3-(iodomethyl)-2-propylpyrrolidin-1-ium Traditional Name: (2S,3S)-1-benzyl-3-(iodomethyl)-2-propyl-pyrrolidin-1-ium Formula: C15H23IN+ MolecularWeight: 344.25429

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(CC[NH+]1CC2=CC=CC=C2)CI

Isomeric SMILES

CCC[C@H]1[C@H](CC[NH+]1CC2=CC=CC=C2)CI

InChI

InChI=1S/C15H22IN/c1-2-6-15-14(11-16)9-10-17(15)12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/p+1/t14-,15+/m1/s1