4-(3-methylbutyl)-4-octadecyl-thiomorpholin-4-ium nitrite

Systemtic Name: 4-(3-methylbutyl)-4-octadecyl-thiomorpholin-4-ium nitrite Openeye Name: 4-isopentyl-4-octadecyl-thiomorpholin-4-ium nitrite CAS Name: 4-(3-methylbutyl)-4-octadecylthiomorpholin-4-ium nitrite IUPAC Name: 4-(3-methylbutyl)-4-octadecylthiomorpholin-4-ium nitrite Traditional Name: 4-isoamyl-4-stearyl-thiomorpholin-4-ium nitrite Formula: C27H56N2O2S MolecularWeight: 472.81074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCSCC1)CCC(C)C.N(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCSCC1)CCC(C)C.N(=O)[O-]

InChI

InChI=1S/C27H56NS.HNO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28(22-20-27(2)3)23-25-29-26-24-28;2-1-3/h27H,4-26H2,1-3H3;(H,2,3)/q+1;/p-1