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

Systemtic Name: (1-methyl-4-pyrrolidin-1-yl-pyridin-1-ium-3-yl)-[(2S)-2-[oxidanyl(diphenyl)methyl]pyrrolidin-1-yl]methanone Openeye Name: [(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone CAS Name: [(2S)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl]-[1-methyl-4-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: [(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidino]-(1-methyl-4-pyrrolidino-pyridin-1-ium-3-yl)methanone Formula: C28H32N3O2+ MolecularWeight: 442.57258

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C28H32N3O2/c1-29-20-16-25(30-17-8-9-18-30)24(21-29)27(32)31-19-10-15-26(31)28(33,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-7,11-14,16,20-21,26,33H,8-10,15,17-19H2,1H3/q+1/t26-/m0/s1