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

Systemtic Name: tert-butyl N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-oxobutyl]carbamate Traditional Name: N-[4-keto-4-(4-p-anisylpiperazin-4-ium-1-yl)butyl]carbamic acid tert-butyl ester Formula: C21H34N3O4+ MolecularWeight: 392.51236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4/c1-21(2,3)28-20(26)22-11-5-6-19(25)24-14-12-23(13-15-24)16-17-7-9-18(27-4)10-8-17/h7-10H,5-6,11-16H2,1-4H3,(H,22,26)/p+1