1-(furan-2-ylcarbonyl)-N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(furan-2-ylcarbonyl)-N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]piperidine-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1-(furan-2-carbonyl)-N-methyl-piperidine-4-carboxamide CAS Name: 1-[2-furanyl(oxo)methyl]-N-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1-(2-furoyl)-N-methyl-isonipecotamide Formula: C25H33N4O4+ MolecularWeight: 453.55392

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H32N4O4/c1-26(24(31)21-9-11-29(12-10-21)25(32)22-8-5-17-33-22)19-23(30)28-15-13-27(14-16-28)18-20-6-3-2-4-7-20/h2-8,17,21H,9-16,18-19H2,1H3/p+1