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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[N+]2=C(N(C3=CC=CC=C32)CCN4CCCCC4)N)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](C[N+]2=C(N(C3=CC=CC=C32)CCN4CCCCC4)N)O

InChI

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