2-[(2S)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-methoxy-2H-1-benzopyran-3-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC4=C(C=CC(=C4)OC)OC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=C(C=CC(=C4)OC)OC3)OC

InChI

InChI=1S/C26H34N2O4/c1-19-12-20(4-6-25(19)31-3)16-28-10-9-27(17-23(28)8-11-29)15-21-13-22-14-24(30-2)5-7-26(22)32-18-21/h4-7,12-14,23,29H,8-11,15-18H2,1-3H3/p+1/t23-/m0/s1