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

Systemtic Name: methyl 6-methoxy-3-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[[1-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-3-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C27H33N4O4+ MolecularWeight: 477.57532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CCN3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CCN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4/c1-34-21-10-11-22-23(19-21)28-26(27(33)35-2)25(22)29-24(32)12-14-31-17-15-30(16-18-31)13-6-9-20-7-4-3-5-8-20/h3-11,19,28H,12-18H2,1-2H3,(H,29,32)/p+1/b9-6+