N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-4-methyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C37H54ClN2O3S+ MolecularWeight: 642.35426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)S(=O)(=O)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C37H54ClN2O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-27-43-37-24-21-33(28-36(37)38)30-40(31-34-18-17-26-39(29-34)25-5-2)44(41,42)35-22-19-32(3)20-23-35/h17-24,26,28-29H,4-16,25,27,30-31H2,1-3H3/q+1