ethyl 4-[2-(azepan-1-ium-1-yl)ethanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 4-[2-(azepan-1-ium-1-yl)ethanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 4-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-5-methoxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate Traditional Name: 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCCCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCCCCC3)C)C

InChI

InChI=1S/C22H31N3O4/c1-5-29-22(27)19-15(2)24(3)16-10-11-17(28-4)21(20(16)19)23-18(26)14-25-12-8-6-7-9-13-25/h10-11H,5-9,12-14H2,1-4H3,(H,23,26)/p+1