1-[4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]phenyl]propan-1-one Openeye Name: 1-[4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]phenyl]propan-1-one CAS Name: 1-[4-[4-(4-methyl-1-piperazin-1-iumyl)butoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]phenyl]propan-1-one Traditional Name: 1-[4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]phenyl]propan-1-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCCCC[NH+]2CCN(CC2)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCCCC[NH+]2CCN(CC2)C

InChI

InChI=1S/C18H28N2O2/c1-3-18(21)16-6-8-17(9-7-16)22-15-5-4-10-20-13-11-19(2)12-14-20/h6-9H,3-5,10-15H2,1-2H3/p+1