methyl 2-[(3Z)-1-ethanoyl-3-ethylidene-piperidin-1-ium-1-yl]-2-[3-(methoxymethyl)-1H-indol-2-yl]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(3Z)-1-ethanoyl-3-ethylidene-piperidin-1-ium-1-yl]-2-[3-(methoxymethyl)-1H-indol-2-yl]-3-oxidanyl-propanoate Openeye Name: methyl 2-[(3Z)-1-acetyl-3-ethylidene-piperidin-1-ium-1-yl]-3-hydroxy-2-[3-(methoxymethyl)-1H-indol-2-yl]propanoate CAS Name: 2-[(3Z)-1-acetyl-3-ethylidene-1-piperidin-1-iumyl]-3-hydroxy-2-[3-(methoxymethyl)-1H-indol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 2-[(3Z)-1-acetyl-3-ethylidenepiperidin-1-ium-1-yl]-3-hydroxy-2-[3-(methoxymethyl)-1H-indol-2-yl]propanoate Traditional Name: 2-[(3Z)-1-acetyl-3-ethylidene-piperidin-1-ium-1-yl]-3-hydroxy-2-[3-(methoxymethyl)-1H-indol-2-yl]propionic acid methyl ester Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CCC[N+](C1)(C(=O)C)C(CO)(C2=C(C3=CC=CC=C3N2)COC)C(=O)OC

Isomeric SMILES

C/C=C\1/CCC[N+](C1)(C(=O)C)C(CO)(C2=C(C3=CC=CC=C3N2)COC)C(=O)OC

InChI

InChI=1S/C23H31N2O5/c1-5-17-9-8-12-25(13-17,16(2)27)23(15-26,22(28)30-4)21-19(14-29-3)18-10-6-7-11-20(18)24-21/h5-7,10-11,24,26H,8-9,12-15H2,1-4H3/q+1/b17-5-