(1R)-2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanol

Systemtic Name: (1R)-2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanol Openeye Name: (1R)-2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanol CAS Name: (1R)-2-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]-1-(4-methoxyphenyl)ethanol IUPAC Name: (1R)-2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanol Traditional Name: (1R)-2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanol Formula: C23H32N4O2+2 MolecularWeight: 396.52578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCCC4)N)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCCC4)N)O

InChI

InChI=1S/C23H30N4O2/c1-29-19-11-9-18(10-12-19)22(28)17-27-21-8-4-3-7-20(21)26(23(27)24)16-15-25-13-5-2-6-14-25/h3-4,7-12,22,24,28H,2,5-6,13-17H2,1H3/p+2/t22-/m0/s1