oxan-4-yl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: oxan-4-yl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]-tetrahydropyran-4-yl-ammonium CAS Name: 4-oxanyl-[1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: oxan-4-yl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]-tetrahydropyran-4-yl-ammonium Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CCOCC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]C2CCOCC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O2/c30-26(11-4-8-21-6-2-1-3-7-21)28-24-9-5-10-25(20-24)29-16-12-22(13-17-29)27-23-14-18-31-19-15-23/h1-3,5-7,9-10,20,22-23,27H,4,8,11-19H2,(H,28,30)/p+1