butyl 2-[2-azanyl-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: butyl 2-[2-azanyl-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: butyl 2-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]acetic acid butyl ester IUPAC Name: butyl 2-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(2-chlorobenzyl)benzimidazol-3-ium-1-yl]acetic acid butyl ester Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O2/c1-2-3-12-26-19(25)14-24-18-11-7-6-10-17(18)23(20(24)22)13-15-8-4-5-9-16(15)21/h4-11,22H,2-3,12-14H2,1H3/p+1