methyl 3-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethanoylamino]-4-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethanoylamino]-4-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC(=O)NC2=C(NC3=CC=CC(=C32)C)C(=O)OC

InChI

InChI=1S/C20H27N3O3/c1-4-14-9-5-6-11-23(14)12-16(24)22-18-17-13(2)8-7-10-15(17)21-19(18)20(25)26-3/h7-8,10,14,21H,4-6,9,11-12H2,1-3H3,(H,22,24)/p+1/t14-/m0/s1