1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium chloride

Systemtic Name: 1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium chloride Openeye Name: 1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)vinyl]pyridin-1-ium chloride CAS Name: 1-ethyl-2,6-bis[(E)-2-[4-(1-pyrrolidinyl)phenyl]ethenyl]pyridin-1-ium chloride IUPAC Name: 1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium chloride Traditional Name: 1-ethyl-2,6-bis[(E)-2-(4-pyrrolidinophenyl)vinyl]pyridin-1-ium chloride Formula: C31H36ClN3 MolecularWeight: 486.09064

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC=C1C=CC2=CC=C(C=C2)N3CCCC3)C=CC4=CC=C(C=C4)N5CCCC5.[Cl-]

Isomeric SMILES

CC[N+]1=C(C=CC=C1/C=C/C2=CC=C(C=C2)N3CCCC3)/C=C/C4=CC=C(C=C4)N5CCCC5.[Cl-]

InChI

InChI=1S/C31H36N3.ClH/c1-2-34-30(20-14-26-10-16-28(17-11-26)32-22-3-4-23-32)8-7-9-31(34)21-15-27-12-18-29(19-13-27)33-24-5-6-25-33;/h7-21H,2-6,22-25H2,1H3;1H/q+1;/p-1