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

Systemtic Name: [(2S)-2-[dinaphthalen-2-yl(oxidanyl)methyl]pyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone Openeye Name: [(2S)-2-[hydroxy-bis(2-naphthyl)methyl]pyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone CAS Name: [(2S)-2-[hydroxy-bis(2-naphthalenyl)methyl]-1-pyrrolidinyl]-[1-methyl-4-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [(2S)-2-[hydroxy(dinaphthalen-2-yl)methyl]pyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: [(2S)-2-[hydroxy-bis(2-naphthyl)methyl]pyrrolidino]-(1-methyl-4-pyrrolidino-pyridin-1-ium-3-yl)methanone Formula: C36H36N3O2+ MolecularWeight: 542.68994

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCCC3C(C4=CC5=CC=CC=C5C=C4)(C6=CC7=CC=CC=C7C=C6)O

Isomeric SMILES

C[N+]1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCC[C@H]3C(C4=CC5=CC=CC=C5C=C4)(C6=CC7=CC=CC=C7C=C6)O

InChI

InChI=1S/C36H36N3O2/c1-37-22-18-33(38-19-6-7-20-38)32(25-37)35(40)39-21-8-13-34(39)36(41,30-16-14-26-9-2-4-11-28(26)23-30)31-17-15-27-10-3-5-12-29(27)24-31/h2-5,9-12,14-18,22-25,34,41H,6-8,13,19-21H2,1H3/q+1/t34-/m0/s1