(3S)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(4-phenylthiazol-2-yl)methyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[(4-phenyl-2-thiazolyl)methyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: (4-phenylthiazol-2-yl)methyl-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NCC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NCC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4S/c1-2-7-17(8-3-1)20-16-26-21(24-20)13-23-19-10-6-12-25(15-19)14-18-9-4-5-11-22-18/h1-5,7-9,11,16,19,23H,6,10,12-15H2/p+1/t19-/m0/s1