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

Systemtic Name: ethyl 2-[2-azanyl-3-(2-naphthalen-1-yloxyethyl)benzimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[2-(1-naphthyloxy)ethyl]benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[2-(1-naphthalenyloxy)ethyl]-1-benzimidazol-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-(2-naphthalen-1-yloxyethyl)benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-[2-(1-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=CC=CC4=CC=CC=C43)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC4=CC=CC=C43)N

InChI

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