N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[3-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C35H50ClN2O2S+ MolecularWeight: 598.3017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H50ClN2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-40-35-21-20-32(26-34(35)36)28-38(30(2)39)33-19-17-18-31(25-33)27-37-22-24-41-29-37/h17-22,24-26,29H,3-16,23,27-28H2,1-2H3/q+1