4-oxidanylidene-N-[[(2R)-oxolan-2-yl]methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide

Systemtic Name: 4-oxidanylidene-N-[[(2R)-oxolan-2-yl]methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]butanamide CAS Name: 4-oxo-N-[[(2R)-2-oxolanyl]methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: 4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]butyramide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H26N4O3/c23-17(20-14-15-4-3-13-25-15)6-7-18(24)22-11-9-21(10-12-22)16-5-1-2-8-19-16/h1-2,5,8,15H,3-4,6-7,9-14H2,(H,20,23)/p+1/t15-/m1/s1