ethyl-[[6-oxidanylidene-5-[[(2R)-oxolan-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[[6-oxidanylidene-5-[[(2R)-oxolan-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[6-oxo-5-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]ammonium CAS Name: ethyl-[[6-oxo-5-[oxo-[[(2R)-2-oxolanyl]methylamino]methyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[6-oxo-5-[[(2R)-oxolan-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]azanium Traditional Name: benzyl-ethyl-[[6-keto-5-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3CCCO3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C21H27N3O3/c1-2-24(14-16-7-4-3-5-8-16)15-17-10-11-19(21(26)23-17)20(25)22-13-18-9-6-12-27-18/h3-5,7-8,10-11,18H,2,6,9,12-15H2,1H3,(H,22,25)(H,23,26)/p+1/t18-/m1/s1