2-[4-[(2-propyl-1-pyrrolidin-2-yl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-propyl-1-pyrrolidin-2-yl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-propyl-1-pyrrolidin-2-yl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-propyl-1-(2-pyrrolidinyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-propyl-1-pyrrolidin-2-ylbenzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-propyl-1-pyrrolidin-2-yl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Formula: C28H30N3O2+ MolecularWeight: 440.5567

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5CCCN5

Isomeric SMILES

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5CCCN5

InChI

InChI=1S/C28H29N3O2/c1-2-8-27-30-24-11-5-6-12-25(24)31(27,26-13-7-18-29-26)19-20-14-16-21(17-15-20)22-9-3-4-10-23(22)28(32)33/h3-6,9-12,14-17,26,29H,2,7-8,13,18-19H2,1H3/p+1