1-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-4-phenyl-piperazine

Systemtic Name: 1-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-(3-furylmethyl)piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-(3-furanylmethyl)-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-(3-furfuryl)piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C20H28N3O+ MolecularWeight: 326.45582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N3O/c1-2-5-19(6-3-1)22-10-12-23(13-11-22)20-7-4-9-21(16-20)15-18-8-14-24-17-18/h1-3,5-6,8,14,17,20H,4,7,9-13,15-16H2/p+1/t20-/m0/s1