ethyl 5-methoxy-1,2-dimethyl-4-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]indole-3-carboxylate

Systemtic Name: ethyl 5-methoxy-1,2-dimethyl-4-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]indole-3-carboxylate Openeye Name: ethyl 5-methoxy-1,2-dimethyl-4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]indole-3-carboxylate CAS Name: 5-methoxy-1,2-dimethyl-4-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-1,2-dimethyl-4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]indole-3-carboxylate Traditional Name: 5-methoxy-1,2-dimethyl-4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]indole-3-carboxylic acid ethyl ester Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCCC(C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCC[C@@H](C3)C)C)C

InChI

InChI=1S/C22H31N3O4/c1-6-29-22(27)19-15(3)24(4)16-9-10-17(28-5)21(20(16)19)23-18(26)13-25-11-7-8-14(2)12-25/h9-10,14H,6-8,11-13H2,1-5H3,(H,23,26)/p+1/t14-/m0/s1