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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

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