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

Systemtic Name: methyl 2-[(3Z)-1-ethanoyl-3-ethylidene-piperidin-1-ium-1-yl]-2-[3-(methoxymethyl)-1H-indol-2-yl]ethanoate Openeye Name: methyl 2-[(3Z)-1-acetyl-3-ethylidene-piperidin-1-ium-1-yl]-2-[3-(methoxymethyl)-1H-indol-2-yl]acetate CAS Name: 2-[(3Z)-1-acetyl-3-ethylidene-1-piperidin-1-iumyl]-2-[3-(methoxymethyl)-1H-indol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3Z)-1-acetyl-3-ethylidenepiperidin-1-ium-1-yl]-2-[3-(methoxymethyl)-1H-indol-2-yl]acetate Traditional Name: 2-[(3Z)-1-acetyl-3-ethylidene-piperidin-1-ium-1-yl]-2-[3-(methoxymethyl)-1H-indol-2-yl]acetic acid methyl ester Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N2O4/c1-5-16-9-8-12-24(13-16,15(2)25)21(22(26)28-4)20-18(14-27-3)17-10-6-7-11-19(17)23-20/h5-7,10-11,21,23H,8-9,12-14H2,1-4H3/q+1/b16-5-