furan-2-ylmethyl-methyl-[1-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+](C)CC4=CC=CO4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+](C)CC4=CC=CO4

InChI

InChI=1S/C26H31N3O2/c1-20(21-7-4-3-5-8-21)27-26(30)22-10-12-24(13-11-22)29-16-14-23(15-17-29)28(2)19-25-9-6-18-31-25/h3-13,18,20,23H,14-17,19H2,1-2H3,(H,27,30)/p+1/t20-/m0/s1