3-tert-butyl-4-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide Openeye Name: 3-tert-butyl-4-dodecoxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide CAS Name: 3-tert-butyl-4-dodecoxy-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]benzamide IUPAC Name: 3-tert-butyl-4-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide Traditional Name: 3-tert-butyl-4-lauryloxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide Formula: C34H49N2O2S+ MolecularWeight: 549.83006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C

InChI

InChI=1S/C34H48N2O2S/c1-6-7-8-9-10-11-12-13-14-15-21-38-32-20-19-29(23-31(32)34(3,4)5)33(37)35-30-18-16-17-28(22-30)25-36-24-27(2)39-26-36/h16-20,22-24,26H,6-15,21,25H2,1-5H3/p+1