tert-butyl N-[2-[3-(aminocarbonylamino)-1-(phenylmethyl)-2-propyl-pyridin-1-ium-4-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[3-(aminocarbonylamino)-1-(phenylmethyl)-2-propyl-pyridin-1-ium-4-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-(1-benzyl-2-propyl-3-ureido-pyridin-1-ium-4-yl)ethyl]carbamate CAS Name: N-[2-[3-(carbamoylamino)-1-(phenylmethyl)-2-propyl-4-pyridin-1-iumyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[1-benzyl-3-(carbamoylamino)-2-propylpyridin-1-ium-4-yl]ethyl]carbamate Traditional Name: N-[2-(1-benzyl-2-propyl-3-ureido-pyridin-1-ium-4-yl)ethyl]carbamic acid tert-butyl ester Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C=CC(=C1NC(=O)N)CCNC(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCC1=[N+](C=CC(=C1NC(=O)N)CCNC(=O)OC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C23H32N4O3/c1-5-9-19-20(26-21(24)28)18(12-14-25-22(29)30-23(2,3)4)13-15-27(19)16-17-10-7-6-8-11-17/h6-8,10-11,13,15H,5,9,12,14,16H2,1-4H3,(H3-,24,25,26,28,29)/p+1