3-[3-(4-butanoylpiperazin-1-yl)phenoxy]propylazanium

Systemtic Name: 3-[3-(4-butanoylpiperazin-1-yl)phenoxy]propylazanium Openeye Name: 3-[3-(4-butanoylpiperazin-1-yl)phenoxy]propylammonium CAS Name: 3-[3-[4-(1-oxobutyl)-1-piperazinyl]phenoxy]propylammonium IUPAC Name: 3-[3-(4-butanoylpiperazin-1-yl)phenoxy]propylazanium Traditional Name: 3-[3-(4-butyrylpiperazino)phenoxy]propylammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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