[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]methylazanium Openeye Name: [4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]methylammonium CAS Name: [4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]methylammonium IUPAC Name: [4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]methylazanium Traditional Name: [4-(4-pivaloylpiperazino)benzyl]ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C16H25N3O/c1-16(2,3)15(20)19-10-8-18(9-11-19)14-6-4-13(12-17)5-7-14/h4-7H,8-12,17H2,1-3H3/p+1