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

Systemtic Name: 1-(aminocarbonylamino)-3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2H-indol-1-ium-3-carboxylic acid Openeye Name: 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-ureido-indolin-1-ium-3-carboxylic acid CAS Name: 1-(carbamoylamino)-3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2H-indol-1-ium-3-carboxylic acid IUPAC Name: 1-(carbamoylamino)-3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2H-indol-1-ium-3-carboxylic acid Traditional Name: 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-ureido-indolin-1-ium-3-carboxylic acid Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](C2=CC=CC=C21)(C3CC4CCC(C3)N4C)NC(=O)N)C(=O)O

Isomeric SMILES

CC1(C[N+](C2=CC=CC=C21)(C3CC4CCC(C3)N4C)NC(=O)N)C(=O)O

InChI

InChI=1S/C19H26N4O3/c1-19(17(24)25)11-23(21-18(20)26,16-6-4-3-5-15(16)19)14-9-12-7-8-13(10-14)22(12)2/h3-6,12-14H,7-11H2,1-2H3,(H3-,20,21,24,25,26)/p+1