N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-methyl-N-[(5-methyl-2-furanyl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]-N-methyl-N-[(5-methyl-2-furyl)methyl]acetamide Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-19-8-13-23(32-19)18-28(2)25(30)16-24-26(31)27-14-15-29(24)17-20-9-11-22(12-10-20)21-6-4-3-5-7-21/h3-13,24H,14-18H2,1-2H3,(H,27,31)/p+1/t24-/m1/s1