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

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H32N2O4/c1-31-24-17-20(18-25(32-2)27(24)33-3)11-12-26(30)29-15-13-28(14-16-29)19-22-9-6-8-21-7-4-5-10-23(21)22/h4-10,17-18H,11-16,19H2,1-3H3/p+1