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

Systemtic Name: (1S)-2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanol Openeye Name: (1S)-1-(4-chlorophenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanol CAS Name: (1S)-1-(4-chlorophenyl)-2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]ethanol IUPAC Name: (1S)-1-(4-chlorophenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanol Traditional Name: (1S)-1-(4-chlorophenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanol Formula: C22H28ClN4O+ MolecularWeight: 399.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)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+1/t21-/m1/s1