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

Systemtic Name: (1R)-2-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-thiophen-2-yl-ethanol Openeye Name: (1R)-2-[2-amino-3-[2-(1-piperidyl)ethyl]benzimidazol-1-ium-1-yl]-1-(2-thienyl)ethanol CAS Name: (1R)-2-[2-amino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazol-1-iumyl]-1-thiophen-2-ylethanol IUPAC Name: (1R)-2-[2-amino-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-thiophen-2-ylethanol Traditional Name: (1R)-2-[2-amino-3-(2-piperidinoethyl)benzimidazol-1-ium-1-yl]-1-(2-thienyl)ethanol Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C3=CC=CC=C3[N+](=C2N)CC(C4=CC=CS4)O

Isomeric SMILES

C1CCN(CC1)CCN2C3=CC=CC=C3[N+](=C2N)C[C@H](C4=CC=CS4)O

InChI

InChI=1S/C20H26N4OS/c21-20-23(13-12-22-10-4-1-5-11-22)16-7-2-3-8-17(16)24(20)15-18(25)19-9-6-14-26-19/h2-3,6-9,14,18,21,25H,1,4-5,10-13,15H2/p+1/t18-/m1/s1