methyl 5,6-dimethoxy-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5,6-dimethoxy-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5,6-dimethoxy-3-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester Formula: C27H33N4O5+ MolecularWeight: 493.57472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C27H32N4O5/c1-34-22-16-20-21(17-23(22)35-2)28-26(27(33)36-3)25(20)29-24(32)18-31-14-12-30(13-15-31)11-7-10-19-8-5-4-6-9-19/h4-10,16-17,28H,11-15,18H2,1-3H3,(H,29,32)/p+1/b10-7+