3-(1-methylpyrrolidin-2-yl)-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide

Systemtic Name: 3-(1-methylpyrrolidin-2-yl)-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide Openeye Name: 3-(1-methylpyrrolidin-2-yl)-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide CAS Name: 3-(1-methyl-2-pyrrolidinyl)-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide IUPAC Name: 3-(1-methylpyrrolidin-2-yl)-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide Traditional Name: 3-(1-methylpyrrolidin-2-yl)-1-[5-(4-phenylphenyl)pent-4-ynyl]pyridin-1-ium bromide Formula: C27H29BrN2 MolecularWeight: 461.43656

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C[N+](=CC=C2)CCCC#CC3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CN1CCCC1C2=C[N+](=CC=C2)CCCC#CC3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H29N2.BrH/c1-28-19-9-14-27(28)26-13-8-21-29(22-26)20-7-3-4-10-23-15-17-25(18-16-23)24-11-5-2-6-12-24;/h2,5-6,8,11-13,15-18,21-22,27H,3,7,9,14,19-20H2,1H3;1H/q+1;/p-1