[(3R)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [(3R)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone Openeye Name: [(3R)-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: [(3R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [(3R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [(3R)-1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-3-yl]-piperidino-methanone Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O3/c1-30-25-17-22(12-13-24(25)31-20-21-9-4-2-5-10-21)18-27-14-8-11-23(19-27)26(29)28-15-6-3-7-16-28/h2,4-5,9-10,12-13,17,23H,3,6-8,11,14-16,18-20H2,1H3/p+1/t23-/m1/s1