2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(4-methoxy-2,3-dimethyl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(CC2CCO)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(C[C@@H]2CCO)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H32N4O2/c1-17-18(2)23(30-3)9-8-19(17)14-28-12-11-27(15-20(28)10-13-29)16-24-25-21-6-4-5-7-22(21)26-24/h4-9,20,29H,10-16H2,1-3H3,(H,25,26)/p+1/t20-/m0/s1