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

Systemtic Name: methyl 6-methyl-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]-6-methyl-1H-indole-2-carboxylate CAS Name: 6-methyl-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 6-methyl-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]-6-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-19-10-11-21-22(17-19)27-25(26(32)33-2)24(21)28-23(31)18-30-15-13-29(14-16-30)12-6-9-20-7-4-3-5-8-20/h3-11,17,27H,12-16,18H2,1-2H3,(H,28,31)/p+1/b9-6+