1,3-bis[4-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propan-2-one

Systemtic Name: 1,3-bis[4-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propan-2-one Openeye Name: 1,3-bis[4-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propan-2-one CAS Name: 1,3-bis[4-[1-(3-phenylpropyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]-2-propanone IUPAC Name: 1,3-bis[4-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propan-2-one Traditional Name: 1,3-bis[4-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetone Formula: C41H42N4O+4 MolecularWeight: 606.79838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC(=O)C[N+]4=CC=C(C=C4)C5=CC=[N+](C=C5)CCCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC(=O)C[N+]4=CC=C(C=C4)C5=CC=[N+](C=C5)CCCC6=CC=CC=C6

InChI

InChI=1S/C41H42N4O/c46-41(33-44-29-19-39(20-30-44)37-15-25-42(26-16-37)23-7-13-35-9-3-1-4-10-35)34-45-31-21-40(22-32-45)38-17-27-43(28-18-38)24-8-14-36-11-5-2-6-12-36/h1-6,9-12,15-22,25-32H,7-8,13-14,23-24,33-34H2/q+4