(2S,5S)-3-methyl-2-(5-methylfuran-2-yl)-5-(phenylmethyl)imidazolidin-1-ium-4-one perchlorate

Systemtic Name: (2S,5S)-3-methyl-2-(5-methylfuran-2-yl)-5-(phenylmethyl)imidazolidin-1-ium-4-one perchlorate Openeye Name: (2S,5S)-5-benzyl-3-methyl-2-(5-methyl-2-furyl)imidazolidin-1-ium-4-one perchlorate CAS Name: (2S,5S)-3-methyl-2-(5-methyl-2-furanyl)-5-(phenylmethyl)-4-imidazolidin-1-iumone perchlorate IUPAC Name: (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-1-ium-4-one perchlorate Traditional Name: (2S,5S)-5-benzyl-3-methyl-2-(5-methyl-2-furyl)imidazolidin-1-ium-4-one perchlorate Formula: C16H19ClN2O6 MolecularWeight: 370.78486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2[NH2+]C(C(=O)N2C)CC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(O1)[C@H]2[NH2+][C@H](C(=O)N2C)CC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H18N2O2.ClHO4/c1-11-8-9-14(20-11)15-17-13(16(19)18(15)2)10-12-6-4-3-5-7-12;2-1(3,4)5/h3-9,13,15,17H,10H2,1-2H3;(H,2,3,4,5)/t13-,15-;/m0./s1