tert-butyl N-[3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[3-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]carbamic acid tert-butyl ester Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C21H26N4O3/c1-21(2,3)28-20(27)23-17-6-4-5-16(15-17)19(26)25-13-11-24(12-14-25)18-7-9-22-10-8-18/h4-10,15H,11-14H2,1-3H3,(H,23,27)/p+1