ethyl 1-(aminocarbonylamino)-3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2H-indol-1-ium-3-carboxylate

Systemtic Name: ethyl 1-(aminocarbonylamino)-3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2H-indol-1-ium-3-carboxylate Openeye Name: ethyl 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-ureido-indolin-1-ium-3-carboxylate CAS Name: 1-(carbamoylamino)-3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2H-indol-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(carbamoylamino)-3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2H-indol-1-ium-3-carboxylate Traditional Name: 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-ureido-indolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C[N+](C2=CC=CC=C21)(C3CC4CCC(C3)N4C)NC(=O)N)C

Isomeric SMILES

CCOC(=O)C1(C[N+](C2=CC=CC=C21)(C3CC4CCC(C3)N4C)NC(=O)N)C

InChI

InChI=1S/C21H30N4O3/c1-4-28-19(26)21(2)13-25(23-20(22)27,18-8-6-5-7-17(18)21)16-11-14-9-10-15(12-16)24(14)3/h5-8,14-16H,4,9-13H2,1-3H3,(H2-,22,23,27)/p+1