tert-butyl N-[1-[2-(1-piperidin-3-ylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-(1-piperidin-3-ylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamate Openeye Name: tert-butyl N-[1-[2-[1-(3-piperidyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamate CAS Name: N-[1-[2-[1-(3-piperidinyl)ethylamino]-4-pyrimidinyl]-1-benzimidazol-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-(1-piperidin-3-ylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamate Traditional Name: N-[1-[2-[1-(3-piperidyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamic acid tert-butyl ester Formula: C23H32N7O2+ MolecularWeight: 438.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCNC1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C1CCCNC1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N7O2/c1-16(17-8-7-12-24-14-17)27-21-25-13-11-20(28-21)30(29-22(31)32-23(2,3)4)15-26-18-9-5-6-10-19(18)30/h5-6,9-11,13,15-17,24H,7-8,12,14H2,1-4H3,(H-,25,27,28,29,31)/p+1