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

Systemtic Name: 4-chloranyl-3-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide Openeye Name: 4-chloro-3-dodecoxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide CAS Name: 4-chloro-3-dodecoxy-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]benzamide IUPAC Name: 4-chloro-3-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide Traditional Name: 4-chloro-3-lauryloxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide Formula: C30H40ClN2O2S+ MolecularWeight: 528.1688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39ClN2O2S/c1-3-4-5-6-7-8-9-10-11-12-18-35-29-20-26(16-17-28(29)31)30(34)32-27-15-13-14-25(19-27)22-33-21-24(2)36-23-33/h13-17,19-21,23H,3-12,18,22H2,1-2H3/p+1