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

Systemtic Name: 1-[2-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butoxy]phenyl]propan-1-one Openeye Name: 1-[2-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]phenyl]propan-1-one CAS Name: 1-[2-[4-[4-(phenylmethyl)-1-piperazin-1-iumyl]butoxy]phenyl]-1-propanone IUPAC Name: 1-[2-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]phenyl]propan-1-one Traditional Name: 1-[2-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]phenyl]propan-1-one Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2/c1-2-23(27)22-12-6-7-13-24(22)28-19-9-8-14-25-15-17-26(18-16-25)20-21-10-4-3-5-11-21/h3-7,10-13H,2,8-9,14-20H2,1H3/p+1