1-(2-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[1-(1-naphthylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[1-(1-naphthalenylmethyl)-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[1-(1-naphthylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Formula: C27H35N3O+2 MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H33N3O/c1-31-27-12-5-4-11-26(27)30-19-17-29(18-20-30)24-13-15-28(16-14-24)21-23-9-6-8-22-7-2-3-10-25(22)23/h2-12,24H,13-21H2,1H3/p+2