1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C25H37N3O2+2 MolecularWeight: 411.58018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H35N3O2/c1-3-30-24-10-6-4-8-21(24)20-26-14-12-22(13-15-26)27-16-18-28(19-17-27)23-9-5-7-11-25(23)29-2/h4-11,22H,3,12-20H2,1-2H3/p+2