(2S)-1-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3,3-dimethyl-butan-2-ol

Systemtic Name: (2S)-1-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3,3-dimethyl-butan-2-ol Openeye Name: (2S)-1-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3,3-dimethyl-butan-2-ol CAS Name: (2S)-1-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-3,3-dimethyl-2-butanol IUPAC Name: (2S)-1-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3,3-dimethylbutan-2-ol Traditional Name: (2S)-1-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3,3-dimethyl-butan-2-ol Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCCCC3)O

Isomeric SMILES

CC(C)(C)[C@@H](CN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCCCC3)O

InChI

InChI=1S/C20H32N4O/c1-20(2,3)18(25)15-24-17-10-6-5-9-16(17)23(19(24)21)14-13-22-11-7-4-8-12-22/h5-6,9-10,18,21,25H,4,7-8,11-15H2,1-3H3/p+1/t18-/m1/s1