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

Systemtic Name: N-(3-hexadecoxy-4-methoxy-phenyl)-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Openeye Name: N-(3-hexadecoxy-4-methoxy-phenyl)-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide CAS Name: N-(3-hexadecoxy-4-methoxyphenyl)-3-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide IUPAC Name: N-(3-hexadecoxy-4-methoxyphenyl)-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Traditional Name: N-(3-cetyloxy-4-methoxy-phenyl)-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide Formula: C35H51N2O3S+ MolecularWeight: 579.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC(=C3)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC(=C3)C)OC

InChI

InChI=1S/C35H50N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-40-34-25-32(21-22-33(34)39-3)36-35(38)31-20-18-19-30(24-31)27-37-26-29(2)41-28-37/h18-22,24-26,28H,4-17,23,27H2,1-3H3/p+1