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

Systemtic Name: tert-butyl N-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-(4-veratrylpiperazin-4-ium-1-yl)propyl]carbamic acid tert-butyl ester Formula: C21H34N3O5+ MolecularWeight: 408.51176

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5/c1-21(2,3)29-20(26)22-9-8-19(25)24-12-10-23(11-13-24)15-16-6-7-17(27-4)18(14-16)28-5/h6-7,14H,8-13,15H2,1-5H3,(H,22,26)/p+1