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methyl 2-[3,3-dimethyl-2-[(E)-2-phenylethenyl]indol-1-ium-1-yl]ethanoate
methyl 2-[3,3-dimethyl-2-[(E)-2-phenylethenyl]indol-1-ium-1-yl]ethanoate
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Descriptors Computed from Structure
Canonical SMILES:
CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=CC=C3)CC(=O)OC)C
Isomeric SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=CC=C3)CC(=O)OC)C
InChI
InChI=1S/C21H22NO2/c1-21(2)17-11-7-8-12-18(17)22(15-20(23)24-3)19(21)14-13-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3/q+1/b14-13+
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