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

Systemtic Name: (1S)-2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol Openeye Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol CAS Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)-1-benzimidazol-1-iumyl]-1-(1,3-benzodioxol-5-yl)ethanol IUPAC Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol Traditional Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2[N+](=C1N)C[C@H](C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H28N4O3/c1-3-24(4-2)11-12-25-17-7-5-6-8-18(17)26(22(25)23)14-19(27)16-9-10-20-21(13-16)29-15-28-20/h5-10,13,19,23,27H,3-4,11-12,14-15H2,1-2H3/p+1/t19-/m1/s1