2-[4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium-1-yl]ethanol Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCN(CC3)CCO)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCN(CC3)CCO)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H28N2O3/c1-17-23(18-6-4-3-5-7-18)20-15-21(27-2)19(14-22(20)28-17)16-25-10-8-24(9-11-25)12-13-26/h3-7,14-15,26H,8-13,16H2,1-2H3/p+1