ethyl 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoate Openeye Name: ethyl 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)acetate CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)acetate Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)acetic acid ethyl ester Formula: C18H20N3O2+ MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2/c1-2-23-17(22)13-21-16-11-7-6-10-15(16)20(18(21)19)12-14-8-4-3-5-9-14/h3-11,19H,2,12-13H2,1H3/p+1