3-[(2-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)carbonyl]-6-(4-methoxyphenoxy)hexanoic acid

Systemtic Name: 3-[(2-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)carbonyl]-6-(4-methoxyphenoxy)hexanoic acid Openeye Name: 3-(2-carbamoyl-3,4-dihydro-1H-isoquinolin-2-ium-2-carbonyl)-6-(4-methoxyphenoxy)hexanoic acid CAS Name: 3-[(2-carbamoyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)-oxomethyl]-6-(4-methoxyphenoxy)hexanoic acid IUPAC Name: 3-(2-carbamoyl-3,4-dihydro-1H-isoquinolin-2-ium-2-carbonyl)-6-(4-methoxyphenoxy)hexanoic acid Traditional Name: 3-(2-carbamoyl-3,4-dihydro-1H-isoquinolin-2-ium-2-carbonyl)-6-(4-methoxyphenoxy)hexanoic acid Formula: C24H29N2O6+ MolecularWeight: 441.49686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(CC(=O)O)C(=O)[N+]2(CCC3=CC=CC=C3C2)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(CC(=O)O)C(=O)[N+]2(CCC3=CC=CC=C3C2)C(=O)N

InChI

InChI=1S/C24H28N2O6/c1-31-20-8-10-21(11-9-20)32-14-4-7-18(15-22(27)28)23(29)26(24(25)30)13-12-17-5-2-3-6-19(17)16-26/h2-3,5-6,8-11,18H,4,7,12-16H2,1H3,(H2-,25,27,28,30)/p+1