2-[4-[(E)-2-[4-(1-phenylbut-3-yn-2-yl)phenyl]ethenyl]pyridin-1-ium-1-yl]ethoxymethanamine

Systemtic Name: 2-[4-[(E)-2-[4-(1-phenylbut-3-yn-2-yl)phenyl]ethenyl]pyridin-1-ium-1-yl]ethoxymethanamine Openeye Name: 2-[4-[(E)-2-[4-(1-benzylprop-2-ynyl)phenyl]vinyl]pyridin-1-ium-1-yl]ethoxymethanamine CAS Name: 2-[4-[(E)-2-[4-(1-phenylbut-3-yn-2-yl)phenyl]ethenyl]-1-pyridin-1-iumyl]ethoxymethanamine IUPAC Name: 2-[4-[(E)-2-[4-(1-phenylbut-3-yn-2-yl)phenyl]ethenyl]pyridin-1-ium-1-yl]ethoxymethanamine Traditional Name: 2-[4-[(E)-2-[4-(1-benzylprop-2-ynyl)phenyl]vinyl]pyridin-1-ium-1-yl]ethoxymethylamine Formula: C26H27N2O+ MolecularWeight: 383.50538

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1=CC=CC=C1)C2=CC=C(C=C2)C=CC3=CC=[N+](C=C3)CCOCN

Isomeric SMILES

C#CC(CC1=CC=CC=C1)C2=CC=C(C=C2)/C=C/C3=CC=[N+](C=C3)CCOCN

InChI

InChI=1S/C26H27N2O/c1-2-25(20-24-6-4-3-5-7-24)26-12-10-22(11-13-26)8-9-23-14-16-28(17-15-23)18-19-29-21-27/h1,3-17,25H,18-21,27H2/q+1/b9-8+