methyl 5-methyl-3-[2-[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-[2-[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[[2-[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[1-oxo-2-[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[[2-[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[[2-[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CC4(CC3CC(C4)(C)C)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3C[C@]4(C[C@@H]3CC(C4)(C)C)C)C(=O)OC

InChI

InChI=1S/C23H31N3O3/c1-14-6-7-17-16(8-14)19(20(24-17)21(28)29-5)25-18(27)11-26-13-23(4)10-15(26)9-22(2,3)12-23/h6-8,15,24H,9-13H2,1-5H3,(H,25,27)/p+1/t15-,23-/m0/s1