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

Systemtic Name: (1S)-2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanol Openeye Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanol CAS Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)-1-benzimidazol-1-iumyl]-1-(4-chlorophenyl)ethanol IUPAC Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanol Traditional Name: (1S)-2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanol Formula: C21H28ClN4O+ MolecularWeight: 387.92622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O/c1-3-24(4-2)13-14-25-18-7-5-6-8-19(18)26(21(25)23)15-20(27)16-9-11-17(22)12-10-16/h5-12,20,23,27H,3-4,13-15H2,1-2H3/p+1/t20-/m1/s1