4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-ethyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 4-ethyl-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-ethyl-N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C21H28N4O3/c1-3-17-6-8-18(9-7-17)21(27)25(13-12-24-10-4-5-11-24)15-20(26)22-19-14-16(2)28-23-19/h6-9,14H,3-5,10-13,15H2,1-2H3,(H,22,23,26)/p+1