2-(2-azanylpropanoyl)-2-[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-3-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-2-[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinolin-2-ium-3-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-2-(2-ethoxy-1-indan-2-yl-2-oxo-ethyl)-3,4-dihydro-1H-isoquinolin-2-ium-3-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-2-[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-2-ium-3-carboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-2-[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-2-ium-3-carboxylic acid Traditional Name: 2-alanyl-2-(2-ethoxy-1-indan-2-yl-2-keto-ethyl)-3,4-dihydro-1H-isoquinolin-2-ium-3-carboxylic acid Formula: C26H31N2O5+ MolecularWeight: 451.53474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CC2=CC=CC=C2C1)[N+]3(CC4=CC=CC=C4CC3C(=O)O)C(=O)C(C)N

Isomeric SMILES

CCOC(=O)C(C1CC2=CC=CC=C2C1)[N+]3(CC4=CC=CC=C4CC3C(=O)O)C(=O)C(C)N

InChI

InChI=1S/C26H30N2O5/c1-3-33-26(32)23(21-12-17-8-4-5-9-18(17)13-21)28(24(29)16(2)27)15-20-11-7-6-10-19(20)14-22(28)25(30)31/h4-11,16,21-23H,3,12-15,27H2,1-2H3/p+1