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

Systemtic Name: methyl-[[6-oxidanylidene-5-[[(2R)-oxolan-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[[6-oxo-5-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[[6-oxo-5-[oxo-[[(2R)-2-oxolanyl]methylamino]methyl]-1H-pyridin-2-yl]methyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[[6-oxo-5-[[(2R)-oxolan-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]-(2-pyridin-2-ylethyl)azanium Traditional Name: [6-keto-5-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]-1H-pyridin-2-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC=C(C(=O)N2)C(=O)NCC3CCCO3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC=C(C(=O)N2)C(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C20H26N4O3/c1-24(11-9-15-5-2-3-10-21-15)14-16-7-8-18(20(26)23-16)19(25)22-13-17-6-4-12-27-17/h2-3,5,7-8,10,17H,4,6,9,11-14H2,1H3,(H,22,25)(H,23,26)/p+1/t17-/m1/s1