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

Systemtic Name: oxan-4-yl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]-tetrahydropyran-4-yl-ammonium CAS Name: 4-oxanyl-[1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: oxan-4-yl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]-tetrahydropyran-4-yl-ammonium Formula: C27H38N3O2+ MolecularWeight: 436.60952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CCOCC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]C2CCOCC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c31-27(9-5-4-8-22-6-2-1-3-7-22)29-23-10-12-26(13-11-23)30-18-14-24(15-19-30)28-25-16-20-32-21-17-25/h1-3,6-7,10-13,24-25,28H,4-5,8-9,14-21H2,(H,29,31)/p+1