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

Systemtic Name: (2S)-1-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-[2-amino-3-[2-(1-piperidyl)ethyl]benzimidazol-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol CAS Name: (2S)-1-[2-amino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazol-1-iumyl]-3-(3-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-[2-amino-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-[2-amino-3-(2-piperidinoethyl)benzimidazol-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[N+]2=C(N(C3=CC=CC=C32)CCN4CCCCC4)N)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[N+]2=C(N(C3=CC=CC=C32)CCN4CCCCC4)N)O

InChI

InChI=1S/C24H32N4O2/c1-19-8-7-9-21(16-19)30-18-20(29)17-28-23-11-4-3-10-22(23)27(24(28)25)15-14-26-12-5-2-6-13-26/h3-4,7-11,16,20,25,29H,2,5-6,12-15,17-18H2,1H3/p+1/t20-/m0/s1