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

Systemtic Name: 3-(3-pentoxyphenyl)-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 3-(3-pentoxyphenyl)-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 3-(3-pentoxyphenyl)-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-(3-pentoxyphenyl)-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 3-(3-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=CC(=C1)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

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