3-(3,5-dimethoxyphenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C26H30N2O3/c1-30-23-16-20(17-24(18-23)31-2)10-11-26(29)28-14-12-27(13-15-28)19-22-8-5-7-21-6-3-4-9-25(21)22/h3-9,16-18H,10-15,19H2,1-2H3/p+1