ethyl 3-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethanoylamino]-5-methoxy-1-methyl-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethanoylamino]-5-methoxy-1-methyl-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1-methyl-indole-2-carboxylate CAS Name: 3-[[2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-methoxy-1-methyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1-methylindole-2-carboxylate Traditional Name: 3-[[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1-methyl-indole-2-carboxylic acid ethyl ester Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC(=O)NC2=C(N(C3=C2C=C(C=C3)OC)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC(=O)NC2=C(N(C3=C2C=C(C=C3)OC)C)C(=O)OCC

InChI

InChI=1S/C22H31N3O4/c1-5-15-9-7-8-12-25(15)14-19(26)23-20-17-13-16(28-4)10-11-18(17)24(3)21(20)22(27)29-6-2/h10-11,13,15H,5-9,12,14H2,1-4H3,(H,23,26)/p+1/t15-/m0/s1