(1S)-1-phenyl-3-piperidin-1-ium-1-yl-2-(piperidin-1-ium-1-ylmethyl)propan-1-ol

Systemtic Name: (1S)-1-phenyl-3-piperidin-1-ium-1-yl-2-(piperidin-1-ium-1-ylmethyl)propan-1-ol Openeye Name: (1S)-1-phenyl-3-piperidin-1-ium-1-yl-2-(piperidin-1-ium-1-ylmethyl)propan-1-ol CAS Name: (1S)-1-phenyl-3-(1-piperidin-1-iumyl)-2-(1-piperidin-1-iumylmethyl)-1-propanol IUPAC Name: (1S)-1-phenyl-3-piperidin-1-ium-1-yl-2-(piperidin-1-ium-1-ylmethyl)propan-1-ol Traditional Name: (1S)-1-phenyl-3-piperidin-1-ium-1-yl-2-(piperidin-1-ium-1-ylmethyl)propan-1-ol Formula: C20H34N2O+2 MolecularWeight: 318.49676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C[NH+]2CCCCC2)C(C3=CC=CC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)CC(C[NH+]2CCCCC2)[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C20H32N2O/c23-20(18-10-4-1-5-11-18)19(16-21-12-6-2-7-13-21)17-22-14-8-3-9-15-22/h1,4-5,10-11,19-20,23H,2-3,6-9,12-17H2/p+2/t20-/m1/s1