tert-butyl N-[1-[2-(1-propylindazol-6-yl)ethyl]pyrrolidin-1-ium-1-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-(1-propylindazol-6-yl)ethyl]pyrrolidin-1-ium-1-yl]carbamate Openeye Name: tert-butyl N-[1-[2-(1-propylindazol-6-yl)ethyl]pyrrolidin-1-ium-1-yl]carbamate CAS Name: N-[1-[2-(1-propyl-6-indazolyl)ethyl]-1-pyrrolidin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-(1-propylindazol-6-yl)ethyl]pyrrolidin-1-ium-1-yl]carbamate Traditional Name: N-[1-[2-(1-propylindazol-6-yl)ethyl]pyrrolidin-1-ium-1-yl]carbamic acid tert-butyl ester Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)CC[N+]3(CCCC3)NC(=O)OC(C)(C)C)C=N1

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)CC[N+]3(CCCC3)NC(=O)OC(C)(C)C)C=N1

InChI

InChI=1S/C21H32N4O2/c1-5-11-24-19-15-17(8-9-18(19)16-22-24)10-14-25(12-6-7-13-25)23-20(26)27-21(2,3)4/h8-9,15-16H,5-7,10-14H2,1-4H3/p+1