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

Systemtic Name: [1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(1-piperidyl)methanone CAS Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-4-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+]2CCC(CC2)C(=O)N3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCCCC3)OCC4=CC=CC=C4

InChI

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