2-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenoxy]ethylazanium

Systemtic Name: 2-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenoxy]ethylazanium Openeye Name: 2-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenoxy]ethylammonium CAS Name: 2-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenoxy]ethylammonium IUPAC Name: 2-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenoxy]ethylazanium Traditional Name: 2-[4-(4-isovalerylpiperazino)phenoxy]ethylammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-14(2)13-17(21)20-10-8-19(9-11-20)15-3-5-16(6-4-15)22-12-7-18/h3-6,14H,7-13,18H2,1-2H3/p+1