2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-2-benzimidazolyl)methyl]-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CC[NH+](C(C3)CCO)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3CC[NH+]([C@H](C3)CCO)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O/c1-26-23-12-6-5-11-22(23)25-24(26)19-27-15-16-28(21(18-27)13-17-29)14-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-12,21,29H,7,10,13-19H2,1H3/p+1/t21-/m0/s1