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

Systemtic Name: 4-[(3S)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-3-yl]morpholine Openeye Name: 4-[(3S)-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]morpholine CAS Name: 4-[(3S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidin-1-iumyl]morpholine IUPAC Name: 4-[(3S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]morpholine Traditional Name: 4-[(3S)-1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-3-yl]morpholine Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC(C2)N3CCOCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)N3CCOCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H32N2O3/c1-27-24-16-21(9-10-23(24)29-19-20-6-3-2-4-7-20)17-25-11-5-8-22(18-25)26-12-14-28-15-13-26/h2-4,6-7,9-10,16,22H,5,8,11-15,17-19H2,1H3/p+1/t22-/m0/s1