ethyl 5-ethoxy-3-[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-ethoxy-3-[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-ethoxy-3-[[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-ethoxy-3-[[2-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethoxy-3-[[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-ethoxy-3-[[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H32N4O5+2 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CC[NH+](CC3)CCO)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CC[NH+](CC3)CCO)C(=O)OCC

InChI

InChI=1S/C21H30N4O5/c1-3-29-15-5-6-17-16(13-15)19(20(22-17)21(28)30-4-2)23-18(27)14-25-9-7-24(8-10-25)11-12-26/h5-6,13,22,26H,3-4,7-12,14H2,1-2H3,(H,23,27)/p+2