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

Systemtic Name: (1S)-2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-1-phenylethanol IUPAC Name: (1S)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-phenyl-ethanol Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O/c23-22-25(16-15-24-13-7-2-8-14-24)19-11-5-6-12-20(19)26(22)17-21(27)18-9-3-1-4-10-18/h1,3-6,9-12,21,23,27H,2,7-8,13-17H2/p+1/t21-/m1/s1