tert-butyl N-[2-oxidanylidene-1-(piperidin-4-ylideneamino)-1-pyridin-4-yl-pyrrolidin-1-ium-3-yl]carbamate

Systemtic Name: tert-butyl N-[2-oxidanylidene-1-(piperidin-4-ylideneamino)-1-pyridin-4-yl-pyrrolidin-1-ium-3-yl]carbamate Openeye Name: tert-butyl N-[2-oxo-1-(4-piperidylideneamino)-1-(4-pyridyl)pyrrolidin-1-ium-3-yl]carbamate CAS Name: N-[2-oxo-1-(4-piperidinylideneamino)-1-pyridin-4-yl-3-pyrrolidin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-oxo-1-(piperidin-4-ylideneamino)-1-pyridin-4-ylpyrrolidin-1-ium-3-yl]carbamate Traditional Name: N-[2-keto-1-(4-piperidylideneamino)-1-(4-pyridyl)pyrrolidin-1-ium-3-yl]carbamic acid tert-butyl ester Formula: C19H28N5O3+ MolecularWeight: 374.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC[N+](C1=O)(C2=CC=NC=C2)N=C3CCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC[N+](C1=O)(C2=CC=NC=C2)N=C3CCNCC3

InChI

InChI=1S/C19H27N5O3/c1-19(2,3)27-18(26)22-16-8-13-24(17(16)25,15-6-11-21-12-7-15)23-14-4-9-20-10-5-14/h6-7,11-12,16,20H,4-5,8-10,13H2,1-3H3/p+1