[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]methylazanium Openeye Name: [4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]methylammonium CAS Name: [4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]methylammonium IUPAC Name: [4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]methylazanium Traditional Name: [4-(4-isovalerylpiperazino)benzyl]ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-13(2)11-16(20)19-9-7-18(8-10-19)15-5-3-14(12-17)4-6-15/h3-6,13H,7-12,17H2,1-2H3/p+1