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

Systemtic Name: 2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-2-benzimidazolyl)methyl]-1-phenethyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CC[NH+](C(C3)CCO)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3CC[NH+]([C@H](C3)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O/c1-25-22-10-6-5-9-21(22)24-23(25)18-26-14-15-27(20(17-26)12-16-28)13-11-19-7-3-2-4-8-19/h2-10,20,28H,11-18H2,1H3/p+1/t20-/m0/s1