1-[2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[4-[(E)-styryl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[4-[(E)-2-phenylethenyl]-1-pyridin-1-iumyl]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[4-[(E)-styryl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-3-carboxamide Formula: C21H21N3O+2 MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CC[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CC[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H20N3O/c22-21(25)20-7-4-12-24(17-20)16-15-23-13-10-19(11-14-23)9-8-18-5-2-1-3-6-18/h1-14,17H,15-16H2,(H-,22,25)/q+1/p+1/b9-8+