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

Systemtic Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@@H]2CCO)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H32N4O/c26-13-10-18-15-24(11-12-25(18)14-17-6-2-1-3-7-17)16-21-22-19-8-4-5-9-20(19)23-21/h4-5,8-9,17-18,26H,1-3,6-7,10-16H2,(H,22,23)/p+1/t18-/m0/s1