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

Systemtic Name: N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-methyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-methyl-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H26N4O3/c1-15-12-18(22-27-15)21-19(25)14-23(2)20(26)17-8-6-16(7-9-17)13-24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,21,22,25)/p+1