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

Systemtic Name: [1-[(6-chloranyl-2H-chromen-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(6-chloro-2H-chromen-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(6-chloro-2H-chromen-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(6-chloro-2H-chromen-3-yl)methyl]-4-p-anisyl-piperidin-1-ium-4-yl]methanol Formula: C24H29ClNO3+ MolecularWeight: 414.94496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2(CC[NH+](CC2)CC3=CC4=C(C=CC(=C4)Cl)OC3)CO

Isomeric SMILES

COC1=CC=C(C=C1)CC2(CC[NH+](CC2)CC3=CC4=C(C=CC(=C4)Cl)OC3)CO

InChI

InChI=1S/C24H28ClNO3/c1-28-22-5-2-18(3-6-22)14-24(17-27)8-10-26(11-9-24)15-19-12-20-13-21(25)4-7-23(20)29-16-19/h2-7,12-13,27H,8-11,14-17H2,1H3/p+1