methyl 3-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-5-13-8-6-7-9-24(13)12-18(25)23-19-14-10-16(27-2)17(28-3)11-15(14)22-20(19)21(26)29-4/h10-11,13,22H,5-9,12H2,1-4H3,(H,23,25)/p+1/t13-/m0/s1