tert-butyl N-[5-(aminocarbonylamino)-4-ethyl-1-(phenylmethyl)-6-propyl-pyridin-1-ium-3-yl]carbamate bromide

Systemtic Name: tert-butyl N-[5-(aminocarbonylamino)-4-ethyl-1-(phenylmethyl)-6-propyl-pyridin-1-ium-3-yl]carbamate bromide Openeye Name: tert-butyl N-(1-benzyl-4-ethyl-6-propyl-5-ureido-pyridin-1-ium-3-yl)carbamate bromide CAS Name: N-[5-(carbamoylamino)-4-ethyl-1-(phenylmethyl)-6-propyl-3-pyridin-1-iumyl]carbamic acid tert-butyl ester bromide IUPAC Name: tert-butyl N-[1-benzyl-5-(carbamoylamino)-4-ethyl-6-propylpyridin-1-ium-3-yl]carbamate bromide Traditional Name: N-(1-benzyl-4-ethyl-6-propyl-5-ureido-pyridin-1-ium-3-yl)carbamic acid tert-butyl ester bromide Formula: C23H33BrN4O3 MolecularWeight: 493.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C=C(C(=C1NC(=O)N)CC)NC(=O)OC(C)(C)C)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCC1=[N+](C=C(C(=C1NC(=O)N)CC)NC(=O)OC(C)(C)C)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C23H32N4O3.BrH/c1-6-11-19-20(26-21(24)28)17(7-2)18(25-22(29)30-23(3,4)5)15-27(19)14-16-12-9-8-10-13-16;/h8-10,12-13,15H,6-7,11,14H2,1-5H3,(H3-,24,25,26,28,29);1H