3-[(2S)-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-(3-benzoxy-4-methoxy-benzyl)piperidin-1-ium-2-yl]pyridine Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCCC2C3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCC[C@H]2C3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2/c1-28-24-13-12-21(16-25(24)29-19-20-8-3-2-4-9-20)18-27-15-6-5-11-23(27)22-10-7-14-26-17-22/h2-4,7-10,12-14,16-17,23H,5-6,11,15,18-19H2,1H3/p+1/t23-/m0/s1