4-[4-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butoxy]phenyl]butan-2-one Openeye Name: 4-[4-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]phenyl]butan-2-one CAS Name: 4-[4-[4-[4-(phenylmethyl)-1-piperazin-1-iumyl]butoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]phenyl]butan-2-one Traditional Name: 4-[4-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]phenyl]butan-2-one Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O2/c1-22(28)9-10-23-11-13-25(14-12-23)29-20-6-5-15-26-16-18-27(19-17-26)21-24-7-3-2-4-8-24/h2-4,7-8,11-14H,5-6,9-10,15-21H2,1H3/p+1