3-(4-pentoxyphenyl)-1-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: 3-(4-pentoxyphenyl)-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 3-(4-pentoxyphenyl)-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 3-(4-pentoxyphenyl)-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-(4-pentoxyphenyl)-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 3-(4-amoxyphenyl)-1-piperazin-4-ium-1-yl-propan-1-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C18H28N2O2/c1-2-3-4-15-22-17-8-5-16(6-9-17)7-10-18(21)20-13-11-19-12-14-20/h5-6,8-9,19H,2-4,7,10-15H2,1H3/p+1