1-[2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea

Systemtic Name: 1-[2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea Openeye Name: 1-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea CAS Name: 1-[2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-1-methyl-5-benzimidazolyl]-3-phenylurea IUPAC Name: 1-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-phenylurea Traditional Name: 1-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O2/c1-16(29)28-12-10-27(11-13-28)15-21-25-19-14-18(8-9-20(19)26(21)2)24-22(30)23-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H2,23,24,30)/p+1