N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-methylsulfonyl-4-tetradecoxy-benzamide

Systemtic Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-methylsulfonyl-4-tetradecoxy-benzamide Openeye Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-methylsulfonyl-4-tetradecoxy-benzamide CAS Name: N-[(1-methyl-2-pyridin-1-iumyl)methyl]-N-methylsulfonyl-4-tetradecoxybenzamide IUPAC Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-methylsulfonyl-4-tetradecoxybenzamide Traditional Name: N-mesyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-myristyloxy-benzamide Formula: C29H45N2O4S+ MolecularWeight: 517.7436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)S(=O)(=O)C

InChI

InChI=1S/C29H45N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-17-24-35-28-21-19-26(20-22-28)29(32)31(36(3,33)34)25-27-18-15-16-23-30(27)2/h15-16,18-23H,4-14,17,24-25H2,1-3H3/q+1