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

Systemtic Name: 1-piperazin-4-ium-1-yl-3-(3-propoxyphenyl)propan-1-one Openeye Name: 1-piperazin-4-ium-1-yl-3-(3-propoxyphenyl)propan-1-one CAS Name: 1-(1-piperazin-4-iumyl)-3-(3-propoxyphenyl)-1-propanone IUPAC Name: 1-piperazin-4-ium-1-yl-3-(3-propoxyphenyl)propan-1-one Traditional Name: 1-piperazin-4-ium-1-yl-3-(3-propoxyphenyl)propan-1-one Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCOC1=CC=CC(=C1)CCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H24N2O2/c1-2-12-20-15-5-3-4-14(13-15)6-7-16(19)18-10-8-17-9-11-18/h3-5,13,17H,2,6-12H2,1H3/p+1