4-[3-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H29N2O3S/c1-3-19(4-2)20-8-10-22(11-9-20)17-18-6-5-7-21(16-18)27(24,25)23-12-14-26-15-13-23/h5-11,16,19H,3-4,12-15,17H2,1-2H3/q+1