2-[4-(dimethoxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl]-3-phenyl-propanoate

Systemtic Name: 2-[4-(dimethoxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl]-3-phenyl-propanoate Openeye Name: 2-[4-(dimethoxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl]-3-phenyl-propanoate CAS Name: 2-[4-(dimethoxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl]-3-phenylpropanoate IUPAC Name: 2-[4-(dimethoxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl]-3-phenylpropanoate Traditional Name: 2-[4-(dimethoxymethyl)-7-methyl-2-pyrindan-2-ium-2-yl]-3-phenyl-propionate Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C=[N+](C=C12)C(CC3=CC=CC=C3)C(=O)[O-])C(OC)OC

Isomeric SMILES

CC1CCC2=C(C=[N+](C=C12)C(CC3=CC=CC=C3)C(=O)[O-])C(OC)OC

InChI

InChI=1S/C21H25NO4/c1-14-9-10-16-17(14)12-22(13-18(16)21(25-2)26-3)19(20(23)24)11-15-7-5-4-6-8-15/h4-8,12-14,19,21H,9-11H2,1-3H3