5-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 5-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 5-(1-benzylpyrrolidin-1-ium-1-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 5-[[1-(phenylmethyl)-1-pyrrolidin-1-iumyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 5-(1-benzylpyrrolidin-1-ium-1-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 5-(1-benzylpyrrolidin-1-ium-1-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC2=CC=CC=C2)OC3=CC=CC4=C3CCN(C4)C(=O)O

Isomeric SMILES

C1CC[N+](C1)(CC2=CC=CC=C2)OC3=CC=CC4=C3CCN(C4)C(=O)O

InChI

InChI=1S/C21H24N2O3/c24-21(25)22-12-11-19-18(15-22)9-6-10-20(19)26-23(13-4-5-14-23)16-17-7-2-1-3-8-17/h1-3,6-10H,4-5,11-16H2/p+1