2-[4-(4-pentanoylpiperazin-1-yl)phenyl]ethylazanium

Systemtic Name: 2-[4-(4-pentanoylpiperazin-1-yl)phenyl]ethylazanium Openeye Name: 2-[4-(4-pentanoylpiperazin-1-yl)phenyl]ethylammonium CAS Name: 2-[4-[4-(1-oxopentyl)-1-piperazinyl]phenyl]ethylammonium IUPAC Name: 2-[4-(4-pentanoylpiperazin-1-yl)phenyl]ethylazanium Traditional Name: 2-[4-(4-valerylpiperazino)phenyl]ethylammonium Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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