(4-phenyloxan-4-yl)methyl-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium

Systemtic Name: (4-phenyloxan-4-yl)methyl-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Openeye Name: (4-phenyltetrahydropyran-4-yl)methyl-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: [1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-piperidinyl]-[(4-phenyl-4-oxanyl)methyl]ammonium IUPAC Name: (4-phenyloxan-4-yl)methyl-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: (4-phenyltetrahydropyran-4-yl)methyl-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C30H37N4O2+ MolecularWeight: 485.64038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2(CCOCC2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2(CCOCC2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C30H36N4O2/c35-29(32-22-24-5-4-16-31-21-24)25-8-10-28(11-9-25)34-17-12-27(13-18-34)33-23-30(14-19-36-20-15-30)26-6-2-1-3-7-26/h1-11,16,21,27,33H,12-15,17-20,22-23H2,(H,32,35)/p+1