1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(3-ethoxy-4-methoxy-benzyl)piperazine-1,4-diium Formula: C26H40N3O2+3 MolecularWeight: 426.6147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O2/c1-3-31-26-19-23(9-10-25(26)30-2)21-28-15-17-29(18-16-28)24-11-13-27(14-12-24)20-22-7-5-4-6-8-22/h4-10,19,24H,3,11-18,20-21H2,1-2H3/p+3