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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,4-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=C(C=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

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

InChI

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