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

Systemtic Name: oxan-4-yl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]-tetrahydropyran-4-yl-ammonium CAS Name: 4-oxanyl-[1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: oxan-4-yl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-tetrahydropyran-4-yl-ammonium Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CCOCC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]C2CCOCC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c29-25(11-6-20-4-2-1-3-5-20)27-21-7-9-24(10-8-21)28-16-12-22(13-17-28)26-23-14-18-30-19-15-23/h1-5,7-10,22-23,26H,6,11-19H2,(H,27,29)/p+1