ethyl 5-ethoxy-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-ethoxy-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-ethoxy-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-ethoxy-3-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethoxy-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-ethoxy-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCCCC3C)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCCC[C@@H]3C)C(=O)OCC

InChI

InChI=1S/C21H29N3O4/c1-4-27-15-9-10-17-16(12-15)19(20(22-17)21(26)28-5-2)23-18(25)13-24-11-7-6-8-14(24)3/h9-10,12,14,22H,4-8,11,13H2,1-3H3,(H,23,25)/p+1/t14-/m0/s1