N-[2-[(3R)-4-azanylidene-5-oxidanylidene-oxolan-3-yl]phenyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[2-[(3R)-4-azanylidene-5-oxidanylidene-oxolan-3-yl]phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-[(3R)-4-imino-5-oxo-tetrahydrofuran-3-yl]phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-[(3R)-4-imino-5-oxo-3-oxolanyl]phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[2-[(3R)-4-imino-5-oxooxolan-3-yl]phenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[2-[(3R)-4-imino-5-keto-tetrahydrofuran-3-yl]phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C3COC(=O)C3=N

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2[C@H]3COC(=O)C3=N

InChI

InChI=1S/C17H21N3O3/c18-16-13(11-23-17(16)22)12-6-2-3-7-14(12)19-15(21)10-20-8-4-1-5-9-20/h2-3,6-7,13,18H,1,4-5,8-11H2,(H,19,21)/p+1/t13-/m1/s1