tert-butyl N-[1-[2-(6-thiophen-3-ylindazol-1-yl)ethyl]pyrrolidin-1-ium-1-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-(6-thiophen-3-ylindazol-1-yl)ethyl]pyrrolidin-1-ium-1-yl]carbamate Openeye Name: tert-butyl N-[1-[2-[6-(3-thienyl)indazol-1-yl]ethyl]pyrrolidin-1-ium-1-yl]carbamate CAS Name: N-[1-[2-[6-(3-thiophenyl)-1-indazolyl]ethyl]-1-pyrrolidin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-(6-thiophen-3-ylindazol-1-yl)ethyl]pyrrolidin-1-ium-1-yl]carbamate Traditional Name: N-[1-[2-[6-(3-thienyl)indazol-1-yl]ethyl]pyrrolidin-1-ium-1-yl]carbamic acid tert-butyl ester Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N[N+]1(CCCC1)CCN2C3=C(C=CC(=C3)C4=CSC=C4)C=N2

Isomeric SMILES

CC(C)(C)OC(=O)N[N+]1(CCCC1)CCN2C3=C(C=CC(=C3)C4=CSC=C4)C=N2

InChI

InChI=1S/C22H28N4O2S/c1-22(2,3)28-21(27)24-26(10-4-5-11-26)12-9-25-20-14-17(19-8-13-29-16-19)6-7-18(20)15-23-25/h6-8,13-16H,4-5,9-12H2,1-3H3/p+1