ethyl 4-(spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-1-ylamino)benzoate

Systemtic Name: ethyl 4-(spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-1-ylamino)benzoate Openeye Name: ethyl 4-(spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-1-ylamino)benzoate CAS Name: 4-(1-spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]ylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-1-ylamino)benzoate Traditional Name: 4-(spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-1-ylamino)benzoic acid ethyl ester Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=[NH+]C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=[NH+]C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C23H26N2O2/c1-2-27-22(26)17-10-12-19(13-11-17)24-21-20-9-5-4-8-18(20)16-23(25-21)14-6-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,24,25)/p+1