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

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-ethoxybenzyl)piperazin-4-ium Formula: C25H37N3O+2 MolecularWeight: 395.58078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H35N3O/c1-2-29-25-10-8-23(9-11-25)21-27-16-18-28(19-17-27)24-12-14-26(15-13-24)20-22-6-4-3-5-7-22/h3-11,24H,2,12-21H2,1H3/p+2