tert-butyl N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-(4-p-anisylpiperazin-4-ium-1-yl)propyl]carbamic acid tert-butyl ester Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-20(2,3)27-19(25)21-10-9-18(24)23-13-11-22(12-14-23)15-16-5-7-17(26-4)8-6-16/h5-8H,9-15H2,1-4H3,(H,21,25)/p+1