(2S)-1-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[2-amino-3-[2-(1-piperidyl)ethyl]benzimidazol-1-ium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[2-amino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazol-1-iumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[2-amino-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[2-amino-3-(2-piperidinoethyl)benzimidazol-1-ium-1-yl]-3-phenoxy-propan-2-ol Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C3=CC=CC=C3[N+](=C2N)CC(COC4=CC=CC=C4)O

Isomeric SMILES

C1CCN(CC1)CCN2C3=CC=CC=C3[N+](=C2N)C[C@@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C23H30N4O2/c24-23-26(16-15-25-13-7-2-8-14-25)21-11-5-6-12-22(21)27(23)17-19(28)18-29-20-9-3-1-4-10-20/h1,3-6,9-12,19,24,28H,2,7-8,13-18H2/p+1/t19-/m0/s1