1,5-bis[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]naphthalene-2,6-diol

Systemtic Name: 1,5-bis[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]naphthalene-2,6-diol Openeye Name: 1,5-bis[(4-benzylpiperidin-1-ium-1-yl)methyl]naphthalene-2,6-diol CAS Name: 1,5-bis[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]naphthalene-2,6-diol IUPAC Name: 1,5-bis[(4-benzylpiperidin-1-ium-1-yl)methyl]naphthalene-2,6-diol Traditional Name: 1,5-bis[(4-benzylpiperidin-1-ium-1-yl)methyl]naphthalene-2,6-diol Formula: C36H44N2O2+2 MolecularWeight: 536.74676

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C=CC4=C3C=CC(=C4C[NH+]5CCC(CC5)CC6=CC=CC=C6)O)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C=CC4=C3C=CC(=C4C[NH+]5CCC(CC5)CC6=CC=CC=C6)O)O

InChI

InChI=1S/C36H42N2O2/c39-35-13-12-32-31(33(35)25-37-19-15-29(16-20-37)23-27-7-3-1-4-8-27)11-14-36(40)34(32)26-38-21-17-30(18-22-38)24-28-9-5-2-6-10-28/h1-14,29-30,39-40H,15-26H2/p+2