[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-(1-adamantyl)azanium

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-(1-adamantyl)azanium Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl]-(1-adamantyl)ammonium CAS Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-(1-adamantyl)ammonium IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-(1-adamantyl)azanium Traditional Name: [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl]-(1-adamantyl)ammonium Formula: C21H30N3O3+ MolecularWeight: 372.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O3/c1-13(25)23-17-3-4-19(27-2)18(8-17)24-20(26)12-22-21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,14-16,22H,5-7,9-12H2,1-2H3,(H,23,25)(H,24,26)/p+1