[(2S)-2-(diphenylmethyl)pyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone iodide

Systemtic Name: [(2S)-2-(diphenylmethyl)pyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone iodide Openeye Name: [(2S)-2-benzhydrylpyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone iodide CAS Name: [(2S)-2-(diphenylmethyl)-1-pyrrolidinyl]-[1-methyl-4-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone iodide IUPAC Name: [(2S)-2-benzhydrylpyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone iodide Traditional Name: [(2S)-2-benzhydrylpyrrolidino]-(1-methyl-4-pyrrolidino-pyridin-1-ium-3-yl)methanone iodide Formula: C28H32IN3O MolecularWeight: 553.47765

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCCC3C(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

C[N+]1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCC[C@H]3C(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C28H32N3O.HI/c1-29-20-16-25(30-17-8-9-18-30)24(21-29)28(32)31-19-10-15-26(31)27(22-11-4-2-5-12-22)23-13-6-3-7-14-23;/h2-7,11-14,16,20-21,26-27H,8-10,15,17-19H2,1H3;1H/q+1;/p-1/t26-;/m0./s1