[3-[[2-ethyl-4-methyl-1-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[[2-ethyl-4-methyl-1-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[[2-ethyl-4-methyl-1-[3-[3-(1-piperidyl)propyl]imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[[2-ethyl-4-methyl-1-[3-[3-(1-piperidinyl)propyl]-4-imidazolyl]-1-benzimidazol-1-iumyl]methyl]-2-phenylphenyl] ester IUPAC Name: [3-[[2-ethyl-4-methyl-1-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[[2-ethyl-4-methyl-1-[3-(3-piperidinopropyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C35H40N5O3+ MolecularWeight: 578.7238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC=C2[N+]1(CC3=C(C(=CC=C3)OC(=O)O)C4=CC=CC=C4)C5=CN=CN5CCCN6CCCCC6)C

Isomeric SMILES

CCC1=NC2=C(C=CC=C2[N+]1(CC3=C(C(=CC=C3)OC(=O)O)C4=CC=CC=C4)C5=CN=CN5CCCN6CCCCC6)C

InChI

InChI=1S/C35H39N5O3/c1-3-31-37-34-26(2)13-10-17-29(34)40(31,32-23-36-25-39(32)22-12-21-38-19-8-5-9-20-38)24-28-16-11-18-30(43-35(41)42)33(28)27-14-6-4-7-15-27/h4,6-7,10-11,13-18,23,25H,3,5,8-9,12,19-22,24H2,1-2H3/p+1