5-[1-methyl-4-phenyl-2-(phenylmethyl)-2,5-dihydropyrrol-1-ium-1-yl]pentanoic acid

Systemtic Name: 5-[1-methyl-4-phenyl-2-(phenylmethyl)-2,5-dihydropyrrol-1-ium-1-yl]pentanoic acid Openeye Name: 5-(2-benzyl-1-methyl-4-phenyl-2,5-dihydropyrrol-1-ium-1-yl)pentanoic acid CAS Name: 5-[1-methyl-4-phenyl-2-(phenylmethyl)-2,5-dihydropyrrol-1-ium-1-yl]pentanoic acid IUPAC Name: 5-(2-benzyl-1-methyl-4-phenyl-2,5-dihydropyrrol-1-ium-1-yl)pentanoic acid Traditional Name: 5-(2-benzyl-1-methyl-4-phenyl-3-pyrrolin-1-ium-1-yl)valeric acid Formula: C23H28NO2+ MolecularWeight: 350.47392

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=CC1CC2=CC=CC=C2)C3=CC=CC=C3)CCCCC(=O)O

Isomeric SMILES

C[N+]1(CC(=CC1CC2=CC=CC=C2)C3=CC=CC=C3)CCCCC(=O)O

InChI

InChI=1S/C23H27NO2/c1-24(15-9-8-14-23(25)26)18-21(20-12-6-3-7-13-20)17-22(24)16-19-10-4-2-5-11-19/h2-7,10-13,17,22H,8-9,14-16,18H2,1H3/p+1