N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide

Systemtic Name: N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide Openeye Name: N-[3-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide CAS Name: N-[3-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]-2-tetradecoxybenzamide IUPAC Name: N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxybenzamide Traditional Name: N-[3-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-myristyloxy-benzamide Formula: C32H45N2O2S+ MolecularWeight: 521.7769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C

InChI

InChI=1S/C32H44N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-36-31-21-15-14-20-30(31)32(35)33-29-19-17-18-28(25-29)26-34-22-24-37-27(34)2/h14-15,17-22,24-25H,3-13,16,23,26H2,1-2H3/p+1