[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(3-benzyloxyphenyl)methyl]piperidin-1-ium-4-yl]-(1-piperidyl)methanone CAS Name: [1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-(3-benzoxybenzyl)piperidin-1-ium-4-yl]-piperidino-methanone Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O2/c28-25(27-14-5-2-6-15-27)23-12-16-26(17-13-23)19-22-10-7-11-24(18-22)29-20-21-8-3-1-4-9-21/h1,3-4,7-11,18,23H,2,5-6,12-17,19-20H2/p+1