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

Systemtic Name: (1S)-2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanol Openeye Name: (1S)-2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanol CAS Name: (1S)-2-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]-1-(4-chlorophenyl)ethanol IUPAC Name: (1S)-2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanol Traditional Name: (1S)-2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanol Formula: C22H29ClN4O+2 MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3[N+](=C2N)CC(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3[N+](=C2N)C[C@H](C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H27ClN4O/c23-18-10-8-17(9-11-18)21(28)16-27-20-7-3-2-6-19(20)26(22(27)24)15-14-25-12-4-1-5-13-25/h2-3,6-11,21,24,28H,1,4-5,12-16H2/p+2/t21-/m1/s1