methyl-[[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]-1,2-oxazol-5-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]-1,2-oxazol-5-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]isoxazol-5-yl]methyl]ammonium CAS Name: methyl-[[3-[[(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]-5-isoxazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]-1,2-oxazol-5-yl]methyl]azanium Traditional Name: benzyl-methyl-[[3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]isoxazol-5-yl]methyl]ammonium Formula: C19H28N4O2+2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=NOC(=C2)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=NOC(=C2)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O2/c1-22-10-8-16(9-11-22)20-19(24)18-12-17(25-21-18)14-23(2)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13-14H2,1-2H3,(H,20,24)/p+2