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

Systemtic Name: [4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]methylazanium Openeye Name: [4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]methylammonium CAS Name: [4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]phenyl]methylammonium IUPAC Name: [4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]methylazanium Traditional Name: [4-[4-(2-ethylbutanoyl)piperazino]benzyl]ammonium Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-3-15(4-2)17(21)20-11-9-19(10-12-20)16-7-5-14(13-18)6-8-16/h5-8,15H,3-4,9-13,18H2,1-2H3/p+1