2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-m-anisyl-piperazin-1-ium-2-yl]ethanol Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2CCO)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(C[C@@H]2CCO)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H28N4O2/c1-28-19-6-4-5-17(13-19)14-26-11-10-25(15-18(26)9-12-27)16-22-23-20-7-2-3-8-21(20)24-22/h2-8,13,18,27H,9-12,14-16H2,1H3,(H,23,24)/p+1/t18-/m0/s1