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

Systemtic Name: methyl 3-[2-(azepan-1-ium-1-yl)ethanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCCCCC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCCCCC3)C(=O)OC

InChI

InChI=1S/C19H25N3O3/c1-13-7-8-15-14(11-13)17(18(20-15)19(24)25-2)21-16(23)12-22-9-5-3-4-6-10-22/h7-8,11,20H,3-6,9-10,12H2,1-2H3,(H,21,23)/p+1