oxan-4-ylmethyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: oxan-4-ylmethyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: 4-oxanylmethyl-[1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: oxan-4-ylmethyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]-(tetrahydropyran-4-ylmethyl)ammonium Formula: C28H40N3O2+ MolecularWeight: 450.6361

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2CCOCC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CC2CCOCC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O2/c32-28(9-5-4-8-23-6-2-1-3-7-23)30-26-10-12-27(13-11-26)31-18-14-25(15-19-31)29-22-24-16-20-33-21-17-24/h1-3,6-7,10-13,24-25,29H,4-5,8-9,14-22H2,(H,30,32)/p+1