1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[1-(4-ethoxybenzyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C25H38N3O+3 MolecularWeight: 396.58872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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