methyl 2-[(5Z)-1-ethanoyl-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]piperidin-1-ium-1-yl]prop-2-enoate

Systemtic Name: methyl 2-[(5Z)-1-ethanoyl-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]piperidin-1-ium-1-yl]prop-2-enoate Openeye Name: methyl 2-[(5Z)-1-acetyl-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]piperidin-1-ium-1-yl]prop-2-enoate CAS Name: 2-[(5Z)-1-acetyl-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1-piperidin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[(5Z)-1-acetyl-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]piperidin-1-ium-1-yl]prop-2-enoate Traditional Name: 2-[(5Z)-1-acetyl-5-ethylidene-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]piperidin-1-ium-1-yl]acrylic acid methyl ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N2O4/c1-5-17-10-11-21(25(14-17,16(3)27)15(2)23(28)29-4)22-19(12-13-26)18-8-6-7-9-20(18)24-22/h5-9,21,24,26H,2,10-14H2,1,3-4H3/q+1/b17-5-