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

Systemtic Name: butyl-[[6-oxidanylidene-5-[[(2R)-oxolan-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-butyl-[[6-oxo-5-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]ammonium CAS Name: butyl-[[6-oxo-5-[oxo-[[(2R)-2-oxolanyl]methylamino]methyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[[6-oxo-5-[[(2R)-oxolan-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]azanium Traditional Name: benzyl-butyl-[[6-keto-5-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]ammonium Formula: C23H32N3O3+ MolecularWeight: 398.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-2-3-13-26(16-18-8-5-4-6-9-18)17-19-11-12-21(23(28)25-19)22(27)24-15-20-10-7-14-29-20/h4-6,8-9,11-12,20H,2-3,7,10,13-17H2,1H3,(H,24,27)(H,25,28)/p+1/t20-/m1/s1