(1S)-2-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol

Systemtic Name: (1S)-2-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol Openeye Name: (1S)-2-[2-amino-3-[2-(1-piperidyl)ethyl]benzimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol CAS Name: (1S)-2-[2-amino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazol-1-iumyl]-1-(1,3-benzodioxol-5-yl)ethanol IUPAC Name: (1S)-2-[2-amino-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol Traditional Name: (1S)-2-[2-amino-3-(2-piperidinoethyl)benzimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C3=CC=CC=C3[N+](=C2N)CC(C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CCN(CC1)CCN2C3=CC=CC=C3[N+](=C2N)C[C@H](C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C23H28N4O3/c24-23-26(13-12-25-10-4-1-5-11-25)18-6-2-3-7-19(18)27(23)15-20(28)17-8-9-21-22(14-17)30-16-29-21/h2-3,6-9,14,20,24,28H,1,4-5,10-13,15-16H2/p+1/t20-/m1/s1