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

Systemtic Name: tert-butyl N-[3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)24-19-6-4-5-18(15-19)20(27)26-13-11-25(12-14-26)16-17-7-9-23-10-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,24,28)/p+1