furan-2-ylmethyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: furan-2-ylmethyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 2-furylmethyl-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: 2-furanylmethyl-[1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: furan-2-ylmethyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: 2-furfuryl-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC=CO2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC=CO2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c30-26(13-4-9-21-7-2-1-3-8-21)28-23-10-5-11-24(19-23)29-16-14-22(15-17-29)27-20-25-12-6-18-31-25/h1-3,5-8,10-12,18-19,22,27H,4,9,13-17,20H2,(H,28,30)/p+1