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

Systemtic Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-benzofuranylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC4=CC=CC=C4O3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=CC=CC=C4O3)OC

InChI

InChI=1S/C24H30N2O3/c1-18-13-19(7-8-23(18)28-2)15-26-11-10-25(16-21(26)9-12-27)17-22-14-20-5-3-4-6-24(20)29-22/h3-8,13-14,21,27H,9-12,15-17H2,1-2H3/p+1/t21-/m0/s1