(3S)-N-[(4-phenylmethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(4-phenylmethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(4-benzyloxyphenyl)methyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[(4-phenylmethoxyphenyl)methyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(4-phenylmethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: (4-benzoxybenzyl)-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O/c1-2-7-22(8-3-1)20-29-25-13-11-21(12-14-25)17-27-24-10-6-16-28(19-24)18-23-9-4-5-15-26-23/h1-5,7-9,11-15,24,27H,6,10,16-20H2/p+1/t24-/m0/s1