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

Systemtic Name: 1-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-phenyl-urea Openeye Name: 1-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-phenyl-urea CAS Name: 1-[1-methyl-2-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]-5-benzimidazolyl]-3-phenylurea IUPAC Name: 1-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea Traditional Name: 1-[1-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-phenyl-urea Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O/c1-17-10-13-28(14-11-17)15-12-22-26-20-16-19(8-9-21(20)27(22)2)25-23(29)24-18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3,(H2,24,25,29)/p+1