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

Systemtic Name: ethyl 2-[2-azanyl-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[2-(2-naphthyloxy)ethyl]benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[2-(2-naphthalenyloxy)ethyl]-1-benzimidazol-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-[2-(2-naphthoxy)ethyl]benzimidazol-1-ium-1-yl]acetic acid ethyl ester Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C23H23N3O3/c1-2-28-22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)13-14-29-19-12-11-17-7-3-4-8-18(17)15-19/h3-12,15,24H,2,13-14,16H2,1H3/p+1