2-[2-(dibutylamino)ethoxy]ethyl 2-isoquinolin-2-ium-2-ylethanoate

Systemtic Name: 2-[2-(dibutylamino)ethoxy]ethyl 2-isoquinolin-2-ium-2-ylethanoate Openeye Name: 2-[2-(dibutylamino)ethoxy]ethyl 2-isoquinolin-2-ium-2-ylacetate CAS Name: 2-(2-isoquinolin-2-iumyl)acetic acid 2-[2-(dibutylamino)ethoxy]ethyl ester IUPAC Name: 2-[2-(dibutylamino)ethoxy]ethyl 2-isoquinolin-2-ium-2-ylacetate Traditional Name: 2-isoquinolin-2-ium-2-ylacetic acid 2-[2-(dibutylamino)ethoxy]ethyl ester Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCOCCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCN(CCCC)CCOCCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C23H35N2O3/c1-3-5-12-24(13-6-4-2)15-16-27-17-18-28-23(26)20-25-14-11-21-9-7-8-10-22(21)19-25/h7-11,14,19H,3-6,12-13,15-18,20H2,1-2H3/q+1