2-[4-[[4-[1-(cyclopropylmethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[4-[1-(cyclopropylmethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[4-[1-(cyclopropylmethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-[1-(cyclopropylmethyl)-4-imidazolyl]-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[4-[1-(cyclopropylmethyl)imidazol-4-yl]-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-[1-(cyclopropylmethyl)imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C32H32N4O2 MolecularWeight: 504.62208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=CN(C=N5)CC6CC6

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=CN(C=N5)CC6CC6

InChI

InChI=1S/C32H32N4O2/c1-3-7-30-34-31-27(28-19-35(21-33-28)18-22-12-13-22)10-6-11-29(31)36(30,2)20-23-14-16-24(17-15-23)25-8-4-5-9-26(25)32(37)38/h4-6,8-11,14-17,19,21-22H,3,7,12-13,18,20H2,1-2H3