1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine

Systemtic Name: 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-[(4,5-dimethyl-2-furanyl)methyl]-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H31N3O/c1-18-15-22(26-19(18)2)17-23-10-6-9-21(16-23)25-13-11-24(12-14-25)20-7-4-3-5-8-20/h3-5,7-8,15,21H,6,9-14,16-17H2,1-2H3/p+1/t21-/m0/s1