[1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-[1-(1,3-benzodioxol-5-yl)-4-piperidyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol CAS Name: [1-[1-(1,3-benzodioxol-5-yl)-4-piperidinyl]-4-(3-phenylpropyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Traditional Name: [1-[1-(1,3-benzodioxol-5-yl)-4-piperidyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Formula: C27H37N2O3+ MolecularWeight: 437.59428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H36N2O3/c30-20-27(12-4-7-22-5-2-1-3-6-22)13-17-29(18-14-27)23-10-15-28(16-11-23)24-8-9-25-26(19-24)32-21-31-25/h1-3,5-6,8-9,19,23,30H,4,7,10-18,20-21H2/p+1