methyl 3-[2-(azepan-1-ium-1-yl)ethanoylamino]-5-chloranyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-(azepan-1-ium-1-yl)ethanoylamino]-5-chloranyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-chloro-1H-indole-2-carboxylate CAS Name: 3-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-chloro-1H-indole-2-carboxylate Traditional Name: 3-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

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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+]3CCCCCC3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C18H22ClN3O3/c1-25-18(24)17-16(13-10-12(19)6-7-14(13)20-17)21-15(23)11-22-8-4-2-3-5-9-22/h6-7,10,20H,2-5,8-9,11H2,1H3,(H,21,23)/p+1