4-(1,3-benzodioxol-5-yl)-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]phenol CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]phenol Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]phenol Formula: C26H28NO3+ MolecularWeight: 402.50542

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C=CC(=C3)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C=CC(=C3)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C26H27NO3/c28-24-8-6-21(22-7-9-25-26(16-22)30-18-29-25)15-23(24)17-27-12-10-20(11-13-27)14-19-4-2-1-3-5-19/h1-9,15-16,20,28H,10-14,17-18H2/p+1