[1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol CAS Name: [1-[(6-methoxy-2H-1-benzopyran-3-yl)methyl]-4-phenethyl-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-phenethylpiperidin-1-ium-4-yl]methanol Traditional Name: [1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol Formula: C25H32NO3+ MolecularWeight: 394.52648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=C2)C[NH+]3CCC(CC3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=C2)C[NH+]3CCC(CC3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C25H31NO3/c1-28-23-7-8-24-22(16-23)15-21(18-29-24)17-26-13-11-25(19-27,12-14-26)10-9-20-5-3-2-4-6-20/h2-8,15-16,27H,9-14,17-19H2,1H3/p+1