tert-butyl N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]carbamate CAS Name: N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]carbamate Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)19-13-16(22)21-11-9-20(10-12-21)14-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,23)/p+1