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

Systemtic Name: ethyl 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 4-[[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-methoxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate Traditional Name: 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C23H34N3O4+ MolecularWeight: 416.53376

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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+]3CC(CC(C3)C)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4/c1-7-30-23(28)20-16(4)25(5)17-8-9-18(29-6)22(21(17)20)24-19(27)13-26-11-14(2)10-15(3)12-26/h8-9,14-15H,7,10-13H2,1-6H3,(H,24,27)/p+1/t14-,15-/m1/s1