1-[3-[[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]amino]-3-methyl-butyl]benzimidazol-1-ium-2-one

Systemtic Name: 1-[3-[[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]amino]-3-methyl-butyl]benzimidazol-1-ium-2-one Openeye Name: 1-[3-[[3-(2-chlorophenoxy)-2-hydroxy-propyl]amino]-3-methyl-butyl]benzimidazol-1-ium-2-one CAS Name: 1-[3-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutyl]-2-benzimidazol-1-iumone IUPAC Name: 1-[3-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutyl]benzimidazol-1-ium-2-one Traditional Name: 1-[3-[[3-(2-chlorophenoxy)-2-hydroxy-propyl]amino]-3-methyl-butyl]benzimidazol-1-ium-2-one Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC[N+]1=C2C=CC=CC2=NC1=O)NCC(COC3=CC=CC=C3Cl)O

Isomeric SMILES

CC(C)(CC[N+]1=C2C=CC=CC2=NC1=O)NCC(COC3=CC=CC=C3Cl)O

InChI

InChI=1S/C21H25ClN3O3/c1-21(2,11-12-25-18-9-5-4-8-17(18)24-20(25)27)23-13-15(26)14-28-19-10-6-3-7-16(19)22/h3-10,15,23,26H,11-14H2,1-2H3/q+1