[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol CAS Name: [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Formula: C23H30NO5+ MolecularWeight: 400.488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)(CCOC4=CC=CC=C4)CO

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)(CCOC4=CC=CC=C4)CO

InChI

InChI=1S/C23H29NO5/c1-26-20-13-18(14-21-22(20)29-17-28-21)15-24-10-7-23(16-25,8-11-24)9-12-27-19-5-3-2-4-6-19/h2-6,13-14,25H,7-12,15-17H2,1H3/p+1