N-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-morpholinoethyl)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(4-morpholinyl)ethyl]-1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-morpholinoethyl)-1-(3-phenoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCN2CCOCC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCN2CCOCC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3/c29-25(26-11-14-27-15-17-30-18-16-27)22-9-12-28(13-10-22)20-21-5-4-8-24(19-21)31-23-6-2-1-3-7-23/h1-8,19,22H,9-18,20H2,(H,26,29)/p+1