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

Systemtic Name: methyl 5-chloranyl-3-[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[2-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H25ClN4O4+2 MolecularWeight: 396.8685

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CC[NH+](CC3)CCO

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CC[NH+](CC3)CCO

InChI

InChI=1S/C18H23ClN4O4/c1-27-18(26)17-16(13-10-12(19)2-3-14(13)20-17)21-15(25)11-23-6-4-22(5-7-23)8-9-24/h2-3,10,20,24H,4-9,11H2,1H3,(H,21,25)/p+2