(1S)-2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanol

Systemtic Name: (1S)-2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanol Openeye Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(p-tolyl)ethanol CAS Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)-1-benzimidazol-1-iumyl]-1-(4-methylphenyl)ethanol IUPAC Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanol Traditional Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(p-tolyl)ethanol Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-4-24(5-2)14-15-25-19-8-6-7-9-20(19)26(22(25)23)16-21(27)18-12-10-17(3)11-13-18/h6-13,21,23,27H,4-5,14-16H2,1-3H3/p+1/t21-/m1/s1